Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C10H9NO2

Suppliers	Catalog Number
Matrix Scientific	057490

Database	Data ID
PubChem	18009170

M. W.

175.18396

CAS

477601-28-8

Similarity

N/A

ID: 52802

6-methoxyquinolin-8-amine

$$$$ Data More

M. F.

C10H10N2O

Suppliers	Catalog Number
Matrix Scientific	057491
Life Chemicals	F1901-0147
Bide Pharmatech	BD11789

Database	Data ID
PubChem	7023

M. W.

174.1992

CAS

90-52-8

Similarity

N/A

ID: 52803

4-chloro-6,7-dimethoxyquinoline

$$$$ Data More

M. F.

C11H10ClNO2

Suppliers	Catalog Number
Matrix Scientific	057492
Chemik	CHH16502
Bide Pharmatech	BD12928

Database	Data ID
PubChem	459610

M. W.

223.6556

CAS

35654-56-9

Similarity

N/A

ID: 52804

8-bromo-2-chloroquinoline

$$$$ Data More

M. F.

C9H5BrClN

Suppliers	Catalog Number
Matrix Scientific	057493
Key Organics	SS-4441
Apollo Scientific	OR8709

Database	Data ID
PubChem	10955755

M. W.

242.4997

CAS

163485-86-7

Similarity

N/A

ID: 52805

8-aminoquinoline-7-carbaldehyde

$$$$ Data

M. F.

C10H8N2O

Suppliers	Catalog Number
Matrix Scientific	057494

Database	Data ID
PubChem	11052098

M. W.

172.18332

CAS

158753-17-4

Similarity

N/A

ID: 52806

2,3-dibromoquinoline

$$$$ Data

M. F.

C9H5Br2N

Suppliers	Catalog Number
Matrix Scientific	057495
Bide Pharmatech	BD65392
A&J Pharmtech	AJA-O575

Database	Data ID
PubChem	817315

M. W.

286.9507

CAS

13721-00-1

Similarity

N/A

ID: 52807

3-bromo-2-chloroquinoline

$$$$ Data

M. F.

C9H5BrClN

Suppliers	Catalog Number
Matrix Scientific	057496

Database	Data ID
PubChem	11218736

M. W.

242.4997

CAS

101870-60-4

Similarity

N/A

ID: 52808

3-bromoquinoline-4-carbonitrile

$$$$ Data

M. F.

C10H5BrN2

Suppliers	Catalog Number
Matrix Scientific	057497

Database	Data ID
PubChem	49757956

M. W.

233.0641

CAS

Similarity

N/A

ID: 52809

6-bromo-2-hydroxyquinoline-3-carboxylic acid

$$$$ Data

M. F.

C10H6BrNO3

Suppliers	Catalog Number
Matrix Scientific	057498

Database	Data ID
PubChem	20158992

M. W.

268.06354

CAS

99465-06-2

Similarity

N/A

ID: 52810

6-chloroquinolin-2-ol

$$$$ Data More

M. F.

C9H6ClNO

Suppliers	Catalog Number
Sigma Aldrich	557773
Matrix Scientific	057499
Bide Pharmatech	BD32339

Database	Data ID
PubChem	326646

M. W.

179.60304

CAS

1810-67-9

Similarity

N/A

ID: 52811

2,6-dichloroquinoline

$$$$ Data

M. F.

C9H5Cl2N

Suppliers	Catalog Number
Sigma Aldrich	557803
Matrix Scientific	057500

Database	Data ID
PubChem	607502

M. W.

198.0487

CAS

1810-72-6

Similarity

N/A

ID: 52812

6-chloroquinolin-2-amine

$$$$ Data

M. F.

C9H7ClN2

Suppliers	Catalog Number
Matrix Scientific	057501
A&J Pharmtech	AJA-O24001

Database	Data ID
PubChem	14067425

M. W.

178.61828

CAS

18672-02-1

Similarity

N/A

ID: 52813

4,8-dibromo-5-methoxyquinoline

$$$$ Data

M. F.

C10H7Br2NO

Suppliers	Catalog Number
Matrix Scientific	057502

Database	Data ID
PubChem	49757957

M. W.

316.97668

CAS

Similarity

N/A

ID: 52814

8-bromo-5-methoxyquinolin-4-ol

$$$$ Data

M. F.

C10H8BrNO2

Suppliers	Catalog Number
Matrix Scientific	057503

Database	Data ID
PubChem	49757958

M. W.

254.08002

CAS

161405-28-3

Similarity

N/A

ID: 52815

8-bromo-5-fluoroquinolin-4-ol

$$$$ Data

M. F.

C9H5BrFNO

Suppliers	Catalog Number
Matrix Scientific	057504

Database	Data ID
PubChem	49757959

M. W.

242.0445032

CAS

1065092-35-4

Similarity

N/A

ID: 52816

5-fluoroquinolin-4-ol

$$$$ Data

M. F.

C9H6FNO

Suppliers	Catalog Number
Matrix Scientific	057505

Database	Data ID
PubChem	9547779

M. W.

163.1484432

CAS

386-68-5

Similarity

N/A

ID: 52817

4-chloro-5-fluoroquinoline

$$$$ Data

M. F.

C9H5ClFN

Suppliers	Catalog Number
Matrix Scientific	057506

Database	Data ID
PubChem	49757960

M. W.

181.5941032

CAS

1229037-03-9

Similarity

N/A

ID: 52818

4-hydroxyquinoline-6-carbonitrile

$$$$ Data

M. F.

C10H6N2O

Suppliers	Catalog Number
Matrix Scientific	057507

Database	Data ID
PubChem	11658351

M. W.

170.16744

CAS

219763-82-3

Similarity

N/A

ID: 52819

4-chloroquinoline-6-carbonitrile

$$$$ Data

M. F.

C10H5ClN2

Suppliers	Catalog Number
Matrix Scientific	057508

Database	Data ID
PubChem	20493581

M. W.

188.6131

CAS

219763-83-4

Similarity

N/A

ID: 52820

4-bromoquinoline-6-carbonitrile

$$$$ Data

M. F.

C10H5BrN2

Suppliers	Catalog Number
Matrix Scientific	057509

Database	Data ID
PubChem	11521496

M. W.

233.0641

CAS

642477-82-5

Similarity

N/A

ID: 52821

4-aminoquinoline-6-carbonitrile

$$$$ Data

M. F.

C10H7N3

Suppliers	Catalog Number
Matrix Scientific	057510

Database	Data ID
PubChem	49757961

M. W.

169.18268

CAS

Similarity

N/A

ID: 52822

4-hydroxyquinoline-7-carbonitrile

$$$$ Data

M. F.

C10H6N2O

Suppliers	Catalog Number
Matrix Scientific	057511

Database	Data ID
PubChem	49757962

M. W.

170.16744

CAS

860205-30-7

Similarity

N/A

ID: 52823

4-chloroquinoline-7-carbonitrile

$$$$ Data

M. F.

C10H5ClN2

Suppliers	Catalog Number
Matrix Scientific	057512
Bide Pharmatech	BD32345
A&J Pharmtech	AJA-O13919

Database	Data ID
PubChem	22054581

M. W.

188.6131

CAS

181950-55-0

Similarity

N/A

ID: 52824

4-bromoquinoline-7-carbonitrile

$$$$ Data

M. F.

C10H5BrN2

Suppliers	Catalog Number
Matrix Scientific	057513

Database	Data ID
PubChem	49757963

M. W.

233.0641

CAS

1242063-18-8

Similarity

N/A

ID: 52825

4-aminoquinoline-7-carbonitrile

$$$$ Data

M. F.

C10H7N3

Suppliers	Catalog Number
Matrix Scientific	057514

Database	Data ID
PubChem	22054617

M. W.

169.18268

CAS

Similarity

N/A

ID: 52826

6,7-dimethoxyquinolin-4-ol

$$$$ Data

M. F.

C11H11NO3

Suppliers	Catalog Number
Matrix Scientific	057515
Bide Pharmatech	BD13035
A&J Pharmtech	AJA-O29290

Database	Data ID
PubChem	459611

M. W.

205.20994

CAS

13425-93-9

Similarity

N/A

ID: 52827

4-bromo-6,7-dimethoxyquinoline

$$$$ Data

M. F.

C11H10BrNO2

Suppliers	Catalog Number
Matrix Scientific	057517
Bide Pharmatech	BD12918

Database	Data ID
PubChem	16112719

M. W.

268.1066

CAS

666734-51-6

Similarity

N/A

ID: 52828

6,7-dimethoxyquinolin-4-amine

$$$$ Data

M. F.

C11H12N2O2

Suppliers	Catalog Number
Matrix Scientific	057518

Database	Data ID
PubChem	23510

M. W.

204.22518

CAS

13425-92-8

Similarity

N/A

ID: 52829

7,8-dimethoxyquinolin-4-ol

$$$$ Data

M. F.

C11H11NO3

Suppliers	Catalog Number
Matrix Scientific	057519

Database	Data ID
PubChem	343157

M. W.

205.20994

CAS

1174006-05-3

Similarity

N/A

ID: 52830

4-chloro-7,8-dimethoxyquinoline

$$$$ Data

M. F.

C11H10ClNO2

Suppliers	Catalog Number
Matrix Scientific	057520

Database	Data ID
PubChem	343158

M. W.

223.6556

CAS

99878-79-2

Similarity

N/A

ID: 52831

4-bromo-7,8-dimethoxyquinoline

$$$$ Data

M. F.

C11H10BrNO2

Suppliers	Catalog Number
Matrix Scientific	057521

Database	Data ID
PubChem	49757964

M. W.

268.1066

CAS

Similarity

N/A

ID: 52832

7,8-dimethoxyquinolin-4-amine

$$$$ Data

M. F.

C11H12N2O2

Suppliers	Catalog Number
Matrix Scientific	057522

Database	Data ID
PubChem	49757965

M. W.

204.22518

CAS

99878-77-0

Similarity

N/A

ID: 52833

6-bromoquinolin-4-ol

$$$$ Data More

M. F.

C9H6BrNO

Suppliers	Catalog Number
Alfa Aesar	H54974
Matrix Scientific	057523
Apollo Scientific	OR3631

Database	Data ID
PubChem	12403680

M. W.

224.05404

CAS

145369-94-4

Similarity

N/A

ID: 52834

6-bromo-4-chloroquinoline

$$$$ Data More

M. F.

C9H5BrClN

Suppliers	Catalog Number
ChemBridge	4043700
Alfa Aesar	H54902
Matrix Scientific	057524

Database	Data ID
PubChem	5139537

M. W.

242.4997

CAS

65340-70-7

Similarity

N/A

ID: 52835

2-chloro-1-(8-hydroxyquinolin-5-yl)ethan-1-one

$$$$ Data

M. F.

C11H8ClNO2

Suppliers	Catalog Number
Matrix Scientific	057525

Database	Data ID
PubChem	13427410

M. W.

221.63972

CAS

99973-51-0

Similarity

N/A

ID: 52836

ethyl 5-bromo-1H-pyrrolo[2,3-c]pyridine-2-carboxylate

$$$$ Data

M. F.

C10H9BrN2O2

Suppliers	Catalog Number
Matrix Scientific	057526
Bide Pharmatech	BD216936

Database	Data ID
PubChem	50998338

M. W.

269.09466

CAS

800401-70-1

Similarity

N/A

ID: 52837

5-bromo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid

$$$$ Data

M. F.

C8H5BrN2O2

Suppliers	Catalog Number
Matrix Scientific	057527
Bide Pharmatech	BD216937

Database	Data ID
PubChem	46835722

M. W.

241.0415

CAS

800401-71-2

Similarity

N/A

ID: 52838

5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid

$$$$ Data

M. F.

C8H5ClN2O2

Suppliers	Catalog Number
Matrix Scientific	057528
Bide Pharmatech	BD159149

Database	Data ID
PubChem	44630704

M. W.

196.5905

CAS

800401-68-7

Similarity

N/A

ID: 52839

ethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate

$$$$ Data

M. F.

C10H9ClN2O2

Suppliers	Catalog Number
Matrix Scientific	057529
Bide Pharmatech	BD158989

Database	Data ID
PubChem	44630703

M. W.

224.64366

CAS

800401-67-6

Similarity

N/A

ID: 52840

5-bromo-1H,2H,3H-pyrrolo[2,3-b]pyridin-2-one

$$$$ Data

M. F.

C7H5BrN2O

Suppliers	Catalog Number
Matrix Scientific	057530
Bide Pharmatech	BD102555

Database	Data ID
PubChem	15504062

M. W.

213.0314

CAS

183208-34-6

Similarity

N/A

ID: 52841

4-bromo-1H-pyrrolo[2,3-b]pyridine

$$$$ Data More

M. F.

C7H5BrN2

Suppliers	Catalog Number
Sigma Aldrich	703451
Matrix Scientific	057531
Key Organics	FG-0210

Database	Data ID
PubChem	22273643

M. W.

197.032

CAS

348640-06-2

Similarity

N/A

ID: 52842

4-bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine

$$$$ Data

M. F.

C7H4BrClN2

Suppliers	Catalog Number
Matrix Scientific	057532

Database	Data ID
PubChem	24729595

M. W.

231.47706

CAS

942920-50-5

Similarity

N/A

ID: 52843

5-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

$$$$ Data

M. F.

C8H5ClN2O2

Suppliers	Catalog Number
Matrix Scientific	057533
Key Organics	FF-0745
Bide Pharmatech	BD159148

Database	Data ID
PubChem	44630705

M. W.

196.5905

CAS

800401-84-7

Similarity

N/A

ID: 52844

5-chloro-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,3-c]pyridine-2-carbox...

$$$$ Data

M. F.

C14H19ClN2O3Si

Suppliers	Catalog Number
Matrix Scientific	057534

Database	Data ID
PubChem	46835723

M. W.

326.85076

CAS

Similarity

N/A

ID: 52845

4-bromo-1H-pyrrolo[2,3-c]pyridine

$$$$ Data

M. F.

C7H5BrN2

Suppliers	Catalog Number
Matrix Scientific	057535
Bide Pharmatech	BD208539

Database	Data ID
PubChem	12510055

M. W.

197.032

CAS

69872-17-9

Similarity

N/A

ID: 52846

4-(methylsulfanyl)-1H-imidazole

$$$$ Data

M. F.

C4H6N2S

Suppliers	Catalog Number
Matrix Scientific	057537
A&J Pharmtech	AJA-O106

Database	Data ID
PubChem	13084405

M. W.

114.16884

CAS

83553-60-0

Similarity

N/A

ID: 52847

4,5-dimethyl 1H-imidazole-4,5-dicarboxylate

$$$$ Data More

M. F.

C7H8N2O4

Suppliers	Catalog Number
Sigma Aldrich	716537
Matrix Scientific	057538
InterBioScreen	BB_SC-2543

Database	Data ID
PubChem	76810

M. W.

184.14942

CAS

3304-70-9

Similarity

N/A

ID: 52848

1-methyl-1H-imidazole-4,5-dicarboxylic acid

$$$$ Data

M. F.

C6H6N2O4

Suppliers	Catalog Number
Matrix Scientific	057539
Apollo Scientific	OR10441
A&J Pharmtech	AJA-O35122

Database	Data ID
PubChem	152258

M. W.

170.12284

CAS

19485-38-2

Similarity

N/A

ID: 52849

5-nitro-1H-1,3-benzodiazol-2-amine

$$$$ Data

M. F.

C7H6N4O2

Suppliers	Catalog Number
Matrix Scientific	057540
Bide Pharmatech	BD4693
A&J Pharmtech	AJA-O29544

Database	Data ID
PubChem	5220052

M. W.

178.14814

CAS

6232-92-4

Similarity

N/A

ID: 52850

1-methyl-1H-imidazole-4-carboxylic acid

$$$$ Data More

M. F.

C5H6N2O2

Suppliers	Catalog Number
Sigma Aldrich	679720
Alfa Aesar	H51866
Matrix Scientific	057541

Database	Data ID
PubChem	541509

M. W.

126.11334

CAS

41716-18-1

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified