Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C6H10N4O

Suppliers	Catalog Number
Enamine	EN300-80390

Database	Data ID
PubChem	54594234

M. W.

154.1698

CAS

Similarity

N/A

ID: 276552

[4-(2-chloro-4-nitrophenoxy)-3-fluorophenyl]methanamine hydrochloride

$$$$ Data

M. F.

C13H11Cl2FN2O3

Suppliers	Catalog Number
Enamine	EN300-80391

Database	Data ID
PubChem	53530894

M. W.

333.1424432

CAS

Similarity

N/A

ID: 276553

3-tert-butyl-6-hydrazinylpyridazine

$$$$ Data

M. F.

C8H14N4

Suppliers	Catalog Number
Enamine	EN300-80392

Database	Data ID
PubChem	13499980

M. W.

166.22356

CAS

Similarity

N/A

ID: 276554

2-hydroxy-2-[2-(trifluoromethyl)phenyl]propanoic acid

$$$$ Data

M. F.

C10H9F3O3

Suppliers	Catalog Number
Enamine	EN300-80395

Database	Data ID
PubChem	54594235

M. W.

234.1718696

CAS

Similarity

N/A

ID: 276555

2-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)-3-phenylpropanoic acid

$$$$ Data

M. F.

C11H12N4O2

Suppliers	Catalog Number
Enamine	EN300-80396

Database	Data ID
PubChem	12967958

M. W.

232.23858

CAS

Similarity

N/A

ID: 276556

1-(2-bromophenyl)-3-methylbutan-2-one

$$$$ Data

M. F.

C11H13BrO

Suppliers	Catalog Number
Enamine	EN300-80397

Database	Data ID
PubChem	54594236

M. W.

241.12432

CAS

Similarity

N/A

ID: 276557

4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetamido]benzoic acid

$$$$ Data

M. F.

C12H12N2O4S

Suppliers	Catalog Number
Enamine	EN300-80400

Database	Data ID
PubChem	43353140

M. W.

280.29968

CAS

Similarity

N/A

ID: 276558

2-benzylcyclopentan-1-amine

$$$$ Data

M. F.

C12H17N

Suppliers	Catalog Number
Enamine	EN300-80403

Database	Data ID
PubChem	12757861

M. W.

175.27008

CAS

Similarity

N/A

ID: 276559

5-methoxy-2-(propylamino)benzoic acid

$$$$ Data

M. F.

C11H15NO3

Suppliers	Catalog Number
Enamine	EN300-80406

Database	Data ID
PubChem	54594237

M. W.

209.2417

CAS

Similarity

N/A

ID: 276560

2-(ethylamino)-5-methoxybenzoic acid

$$$$ Data

M. F.

C10H13NO3

Suppliers	Catalog Number
Enamine	EN300-80407

Database	Data ID
PubChem	54594238

M. W.

195.21512

CAS

Similarity

N/A

ID: 276561

5-methoxy-2-(methylamino)benzoic acid

$$$$ Data

M. F.

C9H11NO3

Suppliers	Catalog Number
Enamine	EN300-80408

Database	Data ID
PubChem	18187394

M. W.

181.18854

CAS

Similarity

N/A

ID: 276562

5-chloro-2-(methylamino)benzoic acid

$$$$ Data

M. F.

C8H8ClNO2

Suppliers	Catalog Number
ChemBridge	9071783
Enamine	EN300-80409

Database	Data ID
PubChem	12511324

M. W.

185.60762

CAS

33280-14-7

Similarity

N/A

ID: 276563

5-chloro-2-(ethylamino)benzoic acid

$$$$ Data

M. F.

C9H10ClNO2

Suppliers	Catalog Number
Enamine	EN300-80410

Database	Data ID
PubChem	18803167

M. W.

199.6342

CAS

Similarity

N/A

ID: 276564

2-(ethylamino)-4-nitrobenzoic acid

$$$$ Data

M. F.

C9H10N2O4

Suppliers	Catalog Number
Enamine	EN300-80411

Database	Data ID
PubChem	54594239

M. W.

210.1867

CAS

Similarity

N/A

ID: 276565

4-nitro-2-(propylamino)benzoic acid

$$$$ Data

M. F.

C10H12N2O4

Suppliers	Catalog Number
Enamine	EN300-80412

Database	Data ID
PubChem	54594240

M. W.

224.21328

CAS

Similarity

N/A

ID: 276566

2-(methylamino)-4-nitrobenzoic acid

$$$$ Data

M. F.

C8H8N2O4

Suppliers	Catalog Number
Enamine	EN300-80413

Database	Data ID
PubChem	12535369

M. W.

196.16012

CAS

Similarity

N/A

ID: 276567

4-fluoro-2-(methylamino)benzoic acid

$$$$ Data

M. F.

C8H8FNO2

Suppliers	Catalog Number
Enamine	EN300-80414

Database	Data ID
PubChem	10442099

M. W.

169.1530232

CAS

Similarity

N/A

ID: 276568

2-(ethylamino)-4-fluorobenzoic acid

$$$$ Data

M. F.

C9H10FNO2

Suppliers	Catalog Number
Enamine	EN300-80415

Database	Data ID
PubChem	54594241

M. W.

183.1796032

CAS

Similarity

N/A

ID: 276569

4-chloro-2-(methylamino)benzoic acid

$$$$ Data

M. F.

C8H8ClNO2

Suppliers	Catalog Number
Enamine	EN300-80417

Database	Data ID
PubChem	12535368

M. W.

185.60762

CAS

Similarity

N/A

ID: 276570

4-chloro-2-(ethylamino)benzoic acid

$$$$ Data

M. F.

C9H10ClNO2

Suppliers	Catalog Number
Enamine	EN300-80418

Database	Data ID
PubChem	12776522

M. W.

199.6342

CAS

Similarity

N/A

ID: 276571

4-chloro-2-(propylamino)benzoic acid

$$$$ Data

M. F.

C10H12ClNO2

Suppliers	Catalog Number
Enamine	EN300-80419

Database	Data ID
PubChem	54594242

M. W.

213.66078

CAS

Similarity

N/A

ID: 276572

5-fluoro-2-(propylamino)benzoic acid

$$$$ Data

M. F.

C10H12FNO2

Suppliers	Catalog Number
Enamine	EN300-80420

Database	Data ID
PubChem	19432022

M. W.

197.2061832

CAS

Similarity

N/A

ID: 276573

2-(ethylamino)-5-fluorobenzoic acid

$$$$ Data

M. F.

C9H10FNO2

Suppliers	Catalog Number
Enamine	EN300-80421

Database	Data ID
PubChem	54594243

M. W.

183.1796032

CAS

Similarity

N/A

ID: 276574

5-chloro-2-(propylamino)benzoic acid

$$$$ Data

M. F.

C10H12ClNO2

Suppliers	Catalog Number
Enamine	EN300-80422

Database	Data ID
PubChem	17606633

M. W.

213.66078

CAS

Similarity

N/A

ID: 276575

2-ethoxypyridine-4-carboxylic acid

$$$$ Data

M. F.

C8H9NO3

Suppliers	Catalog Number
Enamine	EN300-80425
A&J Pharmtech	AJA-O32050

Database	Data ID
PubChem	592401

M. W.

167.16196

CAS

91940-86-2

Similarity

N/A

ID: 276576

3-{[(3,4-dichlorophenyl)carbamoyl]amino}benzoic acid

$$$$ Data

M. F.

C14H10Cl2N2O3

Suppliers	Catalog Number
Enamine	EN300-80426

Database	Data ID
PubChem	4102909

M. W.

325.1468

CAS

Similarity

N/A

ID: 276577

methyl 5-phenylthiomorpholine-3-carboxylate

$$$$ Data

M. F.

C12H15NO2S

Suppliers	Catalog Number
Enamine	EN300-80428

Database	Data ID
PubChem	12858824

M. W.

237.318

CAS

Similarity

N/A

ID: 276578

5-phenylpent-4-enoic acid

$$$$ Data

M. F.

C11H12O2

Suppliers	Catalog Number
Enamine	EN300-80430

Database	Data ID
PubChem	5370650

M. W.

176.21178

CAS

Similarity

N/A

ID: 276579

4-carbamoylfuran-2-carboxylic acid

$$$$ Data

M. F.

C6H5NO4

Suppliers	Catalog Number
Enamine	EN300-80431

Database	Data ID
PubChem	54594244

M. W.

155.1082

CAS

Similarity

N/A

ID: 276580

4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

$$$$ Data

M. F.

C10H7F3N2S

Suppliers	Catalog Number
Enamine	EN300-80432

Database	Data ID
PubChem	3765360

M. W.

244.2361896

CAS

Similarity

N/A

ID: 276581

6-nitro-1,2,3,4-tetrahydroquinolin-4-one

$$$$ Data

M. F.

C9H8N2O3

Suppliers	Catalog Number
Enamine	EN300-80434
A&J Pharmtech	AJA-O18674

Database	Data ID
PubChem	12249189

M. W.

192.17142

CAS

57445-29-1

Similarity

N/A

ID: 276582

7-chloro-1,2,3,4-tetrahydroquinolin-4-one

$$$$ Data

M. F.

C9H8ClNO

Suppliers	Catalog Number
Enamine	EN300-80436
A&J Pharmtech	AJA-O40118

Database	Data ID
PubChem	88974

M. W.

181.61892

CAS

21617-15-2

Similarity

N/A

ID: 276583

7-nitro-1,2,3,4-tetrahydroquinolin-4-one

$$$$ Data

M. F.

C9H8N2O3

Suppliers	Catalog Number
Enamine	EN300-80437

Database	Data ID
PubChem	14501408

M. W.

192.17142

CAS

Similarity

N/A

ID: 276584

6-chloro-1,2,3,4-tetrahydroquinolin-4-one

$$$$ Data

M. F.

C9H8ClNO

Suppliers	Catalog Number
Enamine	EN300-80438
A&J Pharmtech	AJA-O20668

Database	Data ID
PubChem	12479104

M. W.

181.61892

CAS

21617-20-9

Similarity

N/A

ID: 276585

6-methoxy-1,2,3,4-tetrahydroquinolin-4-one

$$$$ Data

M. F.

C10H11NO2

Suppliers	Catalog Number
Enamine	EN300-80439
A&J Pharmtech	AJA-O39999

Database	Data ID
PubChem	294805

M. W.

177.19984

CAS

3835-21-0

Similarity

N/A

ID: 276586

6-fluoro-1,2,3,4-tetrahydroquinolin-4-one

$$$$ Data

M. F.

C9H8FNO

Suppliers	Catalog Number
Enamine	EN300-80440
A&J Pharmtech	AJA-O20665

Database	Data ID
PubChem	11423781

M. W.

165.1643232

CAS

38470-26-7

Similarity

N/A

ID: 276587

7-fluoro-1,2,3,4-tetrahydroquinolin-4-one

$$$$ Data

M. F.

C9H8FNO

Suppliers	Catalog Number
Enamine	EN300-80441

Database	Data ID
PubChem	14501410

M. W.

165.1643232

CAS

Similarity

N/A

ID: 276588

7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine

$$$$ Data

M. F.

C9H11FN2

Suppliers	Catalog Number
Enamine	EN300-80442

Database	Data ID
PubChem	54594245

M. W.

166.1954432

CAS

Similarity

N/A

ID: 276589

7-chloro-1,2,3,4-tetrahydroquinolin-4-amine

$$$$ Data

M. F.

C9H11ClN2

Suppliers	Catalog Number
Enamine	EN300-80443

Database	Data ID
PubChem	54594246

M. W.

182.65004

CAS

Similarity

N/A

ID: 276590

7-nitro-1,2,3,4-tetrahydroquinolin-4-amine

$$$$ Data

M. F.

C9H11N3O2

Suppliers	Catalog Number
Enamine	EN300-80444

Database	Data ID
PubChem	54594247

M. W.

193.20254

CAS

Similarity

N/A

ID: 276591

6-nitro-1,2,3,4-tetrahydroquinolin-4-amine

$$$$ Data

M. F.

C9H11N3O2

Suppliers	Catalog Number
Enamine	EN300-80445

Database	Data ID
PubChem	54594248

M. W.

193.20254

CAS

Similarity

N/A

ID: 276592

6-chloro-1,2,3,4-tetrahydroquinolin-4-amine

$$$$ Data

M. F.

C9H11ClN2

Suppliers	Catalog Number
Enamine	EN300-80446

Database	Data ID
PubChem	54594249

M. W.

182.65004

CAS

Similarity

N/A

ID: 276593

6-fluoro-1,2,3,4-tetrahydroquinolin-4-amine

$$$$ Data

M. F.

C9H11FN2

Suppliers	Catalog Number
Enamine	EN300-80447

Database	Data ID
PubChem	54594250

M. W.

166.1954432

CAS

Similarity

N/A

ID: 276594

6-methoxy-1,2,3,4-tetrahydroquinolin-4-amine

$$$$ Data

M. F.

C10H14N2O

Suppliers	Catalog Number
Enamine	EN300-80448

Database	Data ID
PubChem	54594251

M. W.

178.23096

CAS

Similarity

N/A

ID: 276595

tert-butyl N-(7-chloro-1,2,3,4-tetrahydroquinolin-4-yl)carbamate

$$$$ Data

M. F.

C14H19ClN2O2

Suppliers	Catalog Number
Enamine	EN300-80449

Database	Data ID
PubChem	54594252

M. W.

282.76586

CAS

Similarity

N/A

ID: 276596

tert-butyl N-(7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)carbamate

$$$$ Data

M. F.

C14H19FN2O2

Suppliers	Catalog Number
Enamine	EN300-80451

Database	Data ID
PubChem	54594253

M. W.

266.3112632

CAS

Similarity

N/A

ID: 276597

tert-butyl N-(7-nitro-1,2,3,4-tetrahydroquinolin-4-yl)carbamate

$$$$ Data

M. F.

C14H19N3O4

Suppliers	Catalog Number
Enamine	EN300-80452

Database	Data ID
PubChem	54594254

M. W.

293.31836

CAS

Similarity

N/A

ID: 276598

tert-butyl N-(6-nitro-1,2,3,4-tetrahydroquinolin-4-yl)carbamate

$$$$ Data

M. F.

C14H19N3O4

Suppliers	Catalog Number
Enamine	EN300-80453

Database	Data ID
PubChem	54594255

M. W.

293.31836

CAS

Similarity

N/A

ID: 276599

tert-butyl N-(6-chloro-1,2,3,4-tetrahydroquinolin-4-yl)carbamate

$$$$ Data

M. F.

C14H19ClN2O2

Suppliers	Catalog Number
Enamine	EN300-80454

Database	Data ID
PubChem	54594256

M. W.

282.76586

CAS

Similarity

N/A

ID: 276600

tert-butyl N-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)carbamate

$$$$ Data

M. F.

C14H19FN2O2

Suppliers	Catalog Number
Enamine	EN300-80455

Database	Data ID
PubChem	54594257

M. W.

266.3112632

CAS

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