Chembase list of 866358 unique molecular structures

3-methoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

$$$$ Data

M. F.

C14H19BO5

Suppliers	Catalog Number
Bide Pharmatech	BD231247

Database	Data ID
PubChem	46739704

M. W.

278.10866

CAS

936728-20-0

Similarity

N/A

ID: 291402

3-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

$$$$ Data

M. F.

C14H19BO4

Suppliers	Catalog Number
Bide Pharmatech	BD231251

Database	Data ID
PubChem	46739492

M. W.

262.10926

CAS

1150561-67-3

Similarity

N/A

ID: 291403

2-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

$$$$ Data

M. F.

C14H19BO4

Suppliers	Catalog Number
Bide Pharmatech	BD231252

Database	Data ID
PubChem	53216773

M. W.

262.10926

CAS

890839-22-2

Similarity

N/A

ID: 291404

4-(tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxylic acid

$$$$ Data

M. F.

C17H19BO4

Suppliers	Catalog Number
Bide Pharmatech	BD231254

Database	Data ID
PubChem	46738744

M. W.

298.14136

CAS

1073353-77-1

Similarity

N/A

ID: 291405

(3-{[(benzyloxy)carbonyl]amino}-5-fluorophenyl)boronic acid

$$$$ Data

M. F.

C14H13BFNO4

Suppliers	Catalog Number
Bide Pharmatech	BD231256

Database	Data ID
PubChem	46738923

M. W.

289.0667232

CAS

874290-61-6

Similarity

N/A

ID: 291406

6-bromo-8-methylquinoline hydrochloride

$$$$ Data

M. F.

C10H9BrClN

Suppliers	Catalog Number
Bide Pharmatech	BD231281

Database	Data ID
PubChem	53217402

M. W.

258.54216

CAS

1257665-18-1

Similarity

N/A

ID: 291407

8-bromo-6-methylquinoline hydrochloride

$$$$ Data

M. F.

C10H9BrClN

Suppliers	Catalog Number
Bide Pharmatech	BD231282

Database	Data ID
PubChem	53217419

M. W.

258.54216

CAS

1255574-68-5

Similarity

N/A

ID: 291408

4-bromo-6-methyl-2-(trifluoromethyl)quinoline

$$$$ Data

M. F.

C11H7BrF3N

Suppliers	Catalog Number
Bide Pharmatech	BD231283

Database	Data ID
PubChem	46739192

M. W.

290.0791896

CAS

18706-27-9

Similarity

N/A

ID: 291409

5-chloro-8-methylquinoline

$$$$ Data

M. F.

C10H8ClN

Suppliers	Catalog Number
Bide Pharmatech	BD231292

Database	Data ID
PubChem	3948385

M. W.

177.63022

CAS

78941-95-4

Similarity

N/A

ID: 291410

4-chloro-8-methyl-2-(trifluoromethyl)quinoline

$$$$ Data

M. F.

C11H7ClF3N

Suppliers	Catalog Number
Bide Pharmatech	BD231296

Database	Data ID
PubChem	15622259

M. W.

245.6281896

CAS

1701-25-3

Similarity

N/A

ID: 291411

5,7-dibromo-8-methoxyquinoline

$$$$ Data

M. F.

C10H7Br2NO

Suppliers	Catalog Number
Bide Pharmatech	BD231299

Database	Data ID
PubChem	10805403

M. W.

316.97668

CAS

17012-49-6

Similarity

N/A

ID: 291412

pyrimidine-4,6-diamine

$$$$ Data

M. F.

C4H6N4

Suppliers	Catalog Number
Bide Pharmatech	BD2313

Database	Data ID
PubChem	79608

M. W.

110.11724

CAS

2434-56-2

Similarity

N/A

ID: 291413

5,8-dibromo-6-methoxyquinoline

$$$$ Data

M. F.

C10H7Br2NO

Suppliers	Catalog Number
Bide Pharmatech	BD231300

Database	Data ID
PubChem	46739789

M. W.

316.97668

CAS

1187386-37-3

Similarity

N/A

ID: 291414

4,7-dichloro-8-fluoro-2-(trifluoromethyl)quinoline

$$$$ Data

M. F.

C10H3Cl2F4N

Suppliers	Catalog Number
Bide Pharmatech	BD231301

Database	Data ID
PubChem	43668401

M. W.

284.0371328

CAS

1150164-86-5

Similarity

N/A

ID: 291415

1,3-dichloro-6-methylisoquinoline

$$$$ Data

M. F.

C10H7Cl2N

Suppliers	Catalog Number
Bide Pharmatech	BD231302

Database	Data ID
PubChem	46739351

M. W.

212.07528

CAS

21902-38-5

Similarity

N/A

ID: 291416

benzyl 4-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxylate

$$$$ Data

M. F.

C24H31BN2O4

Suppliers	Catalog Number
Bide Pharmatech	BD231257

Database	Data ID
PubChem	46739507

M. W.

422.32494

CAS

1150561-68-4

Similarity

N/A

ID: 291417

4-chloro-2,5-bis(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile

$$$$ Data

M. F.

C17H22B2ClNO4

Suppliers	Catalog Number
Bide Pharmatech	BD231258

Database	Data ID
PubChem	46739053

M. W.

361.43588

CAS

1072944-28-5

Similarity

N/A

ID: 291418

[3-(butylcarbamoyl)-4-chlorophenyl]boronic acid

$$$$ Data

M. F.

C11H15BClNO3

Suppliers	Catalog Number
Bide Pharmatech	BD231259

Database	Data ID
PubChem	44886947

M. W.

255.5057

CAS

871332-94-4

Similarity

N/A

ID: 291419

1-[3-chloro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboni...

$$$$ Data

M. F.

C16H19BClNO2

Suppliers	Catalog Number
Bide Pharmatech	BD231260

Database	Data ID
PubChem	53217274

M. W.

303.59156

CAS

1256360-48-1

Similarity

N/A

ID: 291420

2-chloro-4-fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

$$$$ Data

M. F.

C13H14BClFNO2

Suppliers	Catalog Number
Bide Pharmatech	BD231261

Database	Data ID
PubChem	53217161

M. W.

281.5181632

CAS

1218790-13-6

Similarity

N/A

ID: 291421

(2-chloro-4-cyanophenyl)boronic acid

$$$$ Data

M. F.

C7H5BClNO2

Suppliers	Catalog Number
Bide Pharmatech	BD231262

Database	Data ID
PubChem	22052059

M. W.

181.3841

CAS

677743-50-9

Similarity

N/A

ID: 291422

4,5-dichloro-8-methylquinoline

$$$$ Data

M. F.

C10H7Cl2N

Suppliers	Catalog Number
Bide Pharmatech	BD231304
A&J Pharmtech	AJA-O22447

Database	Data ID
PubChem	17039831

M. W.

212.07528

CAS

948292-29-3

Similarity

N/A

ID: 291423

4,7-dichloro-8-methyl-2-(trifluoromethyl)quinoline

$$$$ Data

M. F.

C11H6Cl2F3N

Suppliers	Catalog Number
Bide Pharmatech	BD231306

Database	Data ID
PubChem	43668577

M. W.

280.0732496

CAS

887350-78-9

Similarity

N/A

ID: 291424

7,8-dichloroquinoline

$$$$ Data

M. F.

C9H5Cl2N

Suppliers	Catalog Number
Bide Pharmatech	BD231307

Database	Data ID
PubChem	19987583

M. W.

198.0487

CAS

703-49-1

Similarity

N/A

ID: 291425

4,6-dichloroquinoline-3-carboxylic acid

$$$$ Data

M. F.

C10H5Cl2NO2

Suppliers	Catalog Number
Bide Pharmatech	BD231308

Database	Data ID
PubChem	19827992

M. W.

242.0582

CAS

179024-68-1

Similarity

N/A

ID: 291426

4,7-dichloro-2-(trifluoromethyl)quinoline

$$$$ Data

M. F.

C10H4Cl2F3N

Suppliers	Catalog Number
Bide Pharmatech	BD231310

Database	Data ID
PubChem	18451516

M. W.

266.0466696

CAS

702640-95-7

Similarity

N/A

ID: 291427

(3-chloro-2-cyanophenyl)boronic acid

$$$$ Data

M. F.

C7H5BClNO2

Suppliers	Catalog Number
Bide Pharmatech	BD231263
A&J Pharmtech	AJA-O20067

Database	Data ID
PubChem	53216293

M. W.

181.3841

CAS

1217500-67-8

Similarity

N/A

ID: 291428

2-bromo-8-chloroquinoline

$$$$ Data

M. F.

C9H5BrClN

Suppliers	Catalog Number
Bide Pharmatech	BD231264

Database	Data ID
PubChem	53217392

M. W.

242.4997

CAS

891842-52-7

Similarity

N/A

ID: 291429

4-bromo-6-chloroquinoline

$$$$ Data

M. F.

C9H5BrClN

Suppliers	Catalog Number
Bide Pharmatech	BD231265

Database	Data ID
PubChem	21568282

M. W.

242.4997

CAS

1070879-30-9

Similarity

N/A

ID: 291430

6-bromo-8-chloroquinoline

$$$$ Data

M. F.

C9H5BrClN

Suppliers	Catalog Number
Bide Pharmatech	BD231266

Database	Data ID
PubChem	46739616

M. W.

242.4997

CAS

16567-13-8

Similarity

N/A

ID: 291431

5-bromo-7-chloroquinoxaline

$$$$ Data

M. F.

C8H4BrClN2

Suppliers	Catalog Number
Bide Pharmatech	BD231267

Database	Data ID
PubChem	53216859

M. W.

243.48776

CAS

1215205-87-0

Similarity

N/A

ID: 291432

6-bromo-2-ethoxy-4-methylquinoline

$$$$ Data

M. F.

C12H12BrNO

Suppliers	Catalog Number
Bide Pharmatech	BD231268

Database	Data ID
PubChem	46739384

M. W.

266.13378

CAS

1187385-61-0

Similarity

N/A

ID: 291433

8-bromo-6-fluoro-4-hydroxyquinoline-3-carboxylic acid

$$$$ Data

M. F.

C10H5BrFNO3

Suppliers	Catalog Number
Bide Pharmatech	BD231269

Database	Data ID
PubChem	3483750

M. W.

286.0540032

CAS

1019016-15-9

Similarity

N/A

ID: 291434

4-bromo-6-fluoro-2-methylquinoline

$$$$ Data

M. F.

C10H7BrFN

Suppliers	Catalog Number
Bide Pharmatech	BD231271

Database	Data ID
PubChem	39346140

M. W.

240.0716832

CAS

1070879-47-8

Similarity

N/A

ID: 291435

5-bromo-8-fluoroquinoline

$$$$ Data

M. F.

C9H5BrFN

Suppliers	Catalog Number
Bide Pharmatech	BD231272

Database	Data ID
PubChem	46739263

M. W.

226.0451032

CAS

1133115-78-2

Similarity

N/A

ID: 291436

6-bromo-4-methyl-2-(propan-2-yloxy)quinoline

$$$$ Data

M. F.

C13H14BrNO

Suppliers	Catalog Number
Bide Pharmatech	BD231276

Database	Data ID
PubChem	46739385

M. W.

280.16036

CAS

1187386-11-3

Similarity

N/A

ID: 291437

6-bromo-2-methoxy-4-methylquinoline

$$$$ Data

M. F.

C11H10BrNO

Suppliers	Catalog Number
Bide Pharmatech	BD231277

Database	Data ID
PubChem	46739383

M. W.

252.1072

CAS

1187386-12-4

Similarity

N/A

ID: 291438

2-bromo-8-methylquinoline

$$$$ Data

M. F.

C10H8BrN

Suppliers	Catalog Number
Bide Pharmatech	BD231279

Database	Data ID
PubChem	15709392

M. W.

222.08122

CAS

99073-81-1

Similarity

N/A

ID: 291439

7-chloro-8-fluoro-2-(trifluoromethyl)quinolin-4-ol

$$$$ Data

M. F.

C10H4ClF4NO

Suppliers	Catalog Number
Bide Pharmatech	BD231285

Database	Data ID
PubChem	43667969

M. W.

265.5914728

CAS

1150164-84-3

Similarity

N/A

ID: 291440

4-chloro-6-methoxy-2-(trifluoromethyl)quinoline

$$$$ Data

M. F.

C11H7ClF3NO

Suppliers	Catalog Number
Bide Pharmatech	BD231287

Database	Data ID
PubChem	21813775

M. W.

261.6275896

CAS

1701-27-5

Similarity

N/A

ID: 291441

3-chloro-7-methylisoquinoline

$$$$ Data

M. F.

C10H8ClN

Suppliers	Catalog Number
Bide Pharmatech	BD231288

Database	Data ID
PubChem	21061717

M. W.

177.63022

CAS

1033201-77-2

Similarity

N/A

ID: 291442

8-chloro-2-methyl-1,4-dihydroquinazolin-4-one

$$$$ Data

M. F.

C9H7ClN2O

Suppliers	Catalog Number
Bide Pharmatech	BD231290

Database	Data ID
PubChem	26370056

M. W.

194.61768

CAS

19407-54-6

Similarity

N/A

ID: 291443

2-chloro-8-methylquinoline

$$$$ Data

M. F.

C10H8ClN

Suppliers	Catalog Number
Bide Pharmatech	BD231291

Database	Data ID
PubChem	21540195

M. W.

177.63022

CAS

4225-85-8

Similarity

N/A

ID: 291444

5,8-difluoroquinoline

$$$$ Data

M. F.

C9H5F2N

Suppliers	Catalog Number
Bide Pharmatech	BD231311

Database	Data ID
PubChem	155433

M. W.

165.1395064

CAS

16650-32-1

Similarity

N/A

ID: 291445

6,8-dimethyl-1,2-dihydroquinolin-2-one

$$$$ Data

M. F.

C11H11NO

Suppliers	Catalog Number
Bide Pharmatech	BD231313

Database	Data ID
PubChem	21540196

M. W.

173.21114

CAS

54904-39-1

Similarity

N/A

ID: 291446

2-ethoxy-8-methylquinoline

$$$$ Data

M. F.

C12H13NO

Suppliers	Catalog Number
Bide Pharmatech	BD231314

Database	Data ID
PubChem	53217394

M. W.

187.23772

CAS

1221793-63-0

Similarity

N/A

ID: 291447

ethyl 6,8-dichloro-4-hydroxyquinoline-3-carboxylate

$$$$ Data

M. F.

C12H9Cl2NO3

Suppliers	Catalog Number
Bide Pharmatech	BD231317
A&J Pharmtech	AJA-O39266

Database	Data ID
PubChem	269214

M. W.

286.11076

CAS

25771-89-5

Similarity

N/A

ID: 291448

ethyl 6-fluoro-4-oxo-1,4-dihydroquinoline-2-carboxylate

$$$$ Data

M. F.

C12H10FNO3

Suppliers	Catalog Number
Bide Pharmatech	BD231319

Database	Data ID
PubChem	22425219

M. W.

235.2111032

CAS

16377-62-1

Similarity

N/A

ID: 291449

2-chloro-6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile

$$$$ Data

M. F.

C12H13BClNO2

Suppliers	Catalog Number
Bide Pharmatech	BD231321

Database	Data ID
PubChem	11622931

M. W.

249.50112

CAS

883899-06-7

Similarity

N/A

ID: 291450

3-chloro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

$$$$ Data

M. F.

C13H15BClNO2

Suppliers	Catalog Number
Bide Pharmatech	BD231322

Database	Data ID
PubChem	53217129

M. W.

263.5277

CAS

1212021-11-8

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