Chembase list of 866358 unique molecular structures

4-(2-oxo-1,2,3,4-tetrahydroquinolin-1-yl)butanoic acid

$$$$ Data

M. F.

C13H15NO3

Suppliers	Catalog Number
Enamine	EN300-69188

Database	Data ID
PubChem	20121064

M. W.

233.2631

CAS

Similarity

N/A

ID: 270352

3-[(3-methylbutyl)amino]propanenitrile

$$$$ Data

M. F.

C8H16N2

Suppliers	Catalog Number
Enamine	EN300-69189

Database	Data ID
PubChem	28728247

M. W.

140.22604

CAS

Similarity

N/A

ID: 270353

5-(chloromethyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole

$$$$ Data

M. F.

C6H9ClN2O2

Suppliers	Catalog Number
ChemBridge	4033296
Enamine	EN300-69190

Database	Data ID
PubChem	29893201

M. W.

176.60086

CAS

1082766-40-2

Similarity

N/A

ID: 270354

1,6-dimethyl-1,4-diazepane

$$$$ Data

M. F.

C7H16N2

Suppliers	Catalog Number
Enamine	EN300-69193

Database	Data ID
PubChem	50987799

M. W.

128.21534

CAS

Similarity

N/A

ID: 270355

[(3-amino-1,1,1-trifluoropropan-2-yl)oxy]cyclopentane hydrochloride

$$$$ Data

M. F.

C8H15ClF3NO

Suppliers	Catalog Number
Enamine	EN300-69196

Database	Data ID
PubChem	50988694

M. W.

233.6590096

CAS

Similarity

N/A

ID: 270356

tert-butyl N-[1-(5-cyanopyridin-2-yl)piperidin-4-yl]carbamate

$$$$ Data

M. F.

C16H22N4O2

Suppliers	Catalog Number
Enamine	EN300-69198

Database	Data ID
PubChem	50986487

M. W.

302.37148

CAS

Similarity

N/A

ID: 270357

4-(4-methylpiperazine-1-carbonyl)phenol hydrochloride

$$$$ Data

M. F.

C12H17ClN2O2

Suppliers	Catalog Number
Enamine	EN300-69201

Database	Data ID
PubChem	50988499

M. W.

256.72858

CAS

Similarity

N/A

ID: 270358

methyl 2-amino-2-methyl-3-phenoxypropanoate hydrochloride

$$$$ Data

M. F.

C11H16ClNO3

Suppliers	Catalog Number
Enamine	EN300-69203

Database	Data ID
PubChem	50988537

M. W.

245.70264

CAS

Similarity

N/A

ID: 270359

methyl 2-(4-bromobenzenesulfonamido)acetate

$$$$ Data

M. F.

C9H10BrNO4S

Suppliers	Catalog Number
Enamine	EN300-69204

Database	Data ID
PubChem	669307

M. W.

308.149

CAS

Similarity

N/A

ID: 270360

2-(piperazin-1-yl)propan-1-ol dihydrochloride

$$$$ Data

M. F.

C7H18Cl2N2O

Suppliers	Catalog Number
Enamine	EN300-69205

Database	Data ID
PubChem	11972044

M. W.

217.13662

CAS

Similarity

N/A

ID: 270361

3-[(cyclopentylmethyl)amino]propanenitrile

$$$$ Data

M. F.

C9H16N2

Suppliers	Catalog Number
Enamine	EN300-69206

Database	Data ID
PubChem	43317244

M. W.

152.23674

CAS

Similarity

N/A

ID: 270362

1-(3-hydroxypropyl)-1,2-dihydropyridin-2-one

$$$$ Data

M. F.

C8H11NO2

Suppliers	Catalog Number
Enamine	EN300-69207

Database	Data ID
PubChem	23510988

M. W.

153.17844

CAS

Similarity

N/A

ID: 270363

[2-(dimethylamino)-2-methylpropyl]({[4-(3-methylbutoxy)phenyl]methyl})amine

$$$$ Data

M. F.

C18H32N2O

Suppliers	Catalog Number
Enamine	EN300-69208

Database	Data ID
PubChem	28102602

M. W.

292.45948

CAS

Similarity

N/A

ID: 270364

3-(1H-pyrrol-1-yl)butanoic acid

$$$$ Data

M. F.

C8H11NO2

Suppliers	Catalog Number
Enamine	EN300-69210

Database	Data ID
PubChem	12828793

M. W.

153.17844

CAS

Similarity

N/A

ID: 270365

3-[(oxan-4-yl)amino]propanenitrile

$$$$ Data

M. F.

C8H14N2O

Suppliers	Catalog Number
Enamine	EN300-69212

Database	Data ID
PubChem	43608580

M. W.

154.20956

CAS

Similarity

N/A

ID: 270366

2,8,14-triazatricyclo[8.4.0.0²,⁶]tetradeca-1(10),11,13-tri...

$$$$ Data

M. F.

C11H13N3O

Suppliers	Catalog Number
Enamine	EN300-69214

Database	Data ID
PubChem	50990320

M. W.

203.24042

CAS

Similarity

N/A

ID: 270367

1-(4-bromobenzoyl)-4-methylpiperazine

$$$$ Data

M. F.

C12H15BrN2O

Suppliers	Catalog Number
Enamine	EN300-69216

Database	Data ID
PubChem	4464352

M. W.

283.1643

CAS

Similarity

N/A

ID: 270368

2-(4-chlorophenyl)acetamide

$$$$ Data

M. F.

C8H8ClNO

Suppliers	Catalog Number
Enamine	EN300-69217

Database	Data ID
PubChem	643286

M. W.

169.60822

CAS

Similarity

N/A

ID: 270369

4-amino-N-(1-hydroxybutan-2-yl)benzamide

$$$$ Data

M. F.

C11H16N2O2

Suppliers	Catalog Number
Enamine	EN300-69218

Database	Data ID
PubChem	3147218

M. W.

208.25694

CAS

Similarity

N/A

ID: 270370

2H-1,3-benzodioxole-5-carbonyl azide

$$$$ Data

M. F.

C8H5N3O3

Suppliers	Catalog Number
Enamine	EN300-69219

Database	Data ID
PubChem	19595046

M. W.

191.1436

CAS

Similarity

N/A

ID: 270371

4-chloro-6-ethyl-2-(pyridin-2-yl)pyrimidine

$$$$ Data

M. F.

C11H10ClN3

Suppliers	Catalog Number
Enamine	EN300-69220

Database	Data ID
PubChem	43557585

M. W.

219.6702

CAS

Similarity

N/A

ID: 270372

4-chloro-5,6-dimethyl-2-(pyridin-4-yl)pyrimidine

$$$$ Data

M. F.

C11H10ClN3

Suppliers	Catalog Number
Enamine	EN300-69221

Database	Data ID
PubChem	10922018

M. W.

219.6702

CAS

Similarity

N/A

ID: 270373

3-[(cyclopropylmethyl)amino]propanenitrile

$$$$ Data

M. F.

C7H12N2

Suppliers	Catalog Number
Enamine	EN300-69223

Database	Data ID
PubChem	18348907

M. W.

124.18358

CAS

Similarity

N/A

ID: 270374

5-(chloromethyl)-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one

$$$$ Data

M. F.

C7H6ClN3O

Suppliers	Catalog Number
Enamine	EN300-69224

Database	Data ID
PubChem	50988917

M. W.

183.59504

CAS

Similarity

N/A

ID: 270375

1-(pyridin-3-yl)pyrrolidin-3-amine dihydrochloride

$$$$ Data

M. F.

C9H15Cl2N3

Suppliers	Catalog Number
Enamine	EN300-69225

Database	Data ID
PubChem	50988405

M. W.

236.1415

CAS

Similarity

N/A

ID: 270376

(3S)-3-amino-3-(2-ethoxyphenyl)propanoic acid

$$$$ Data

M. F.

C11H15NO3

Suppliers	Catalog Number
Enamine	EN300-69227

Database	Data ID
PubChem	1381977

M. W.

209.2417

CAS

Similarity

N/A

ID: 270377

3-(4-fluorobenzoyl)pyridine

$$$$ Data

M. F.

C12H8FNO

Suppliers	Catalog Number
ChemBridge	4002183
Enamine	EN300-69228

Database	Data ID
PubChem	762660

M. W.

201.1964232

CAS

52779-56-3

Similarity

N/A

ID: 270378

5-chloro-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline

$$$$ Data

M. F.

C10H7ClN4

Suppliers	Catalog Number
Enamine	EN300-69229

Database	Data ID
PubChem	10513037

M. W.

218.64238

CAS

Similarity

N/A

ID: 270379

methyl 2-[4-(4-aminophenyl)piperazin-1-yl]acetate

$$$$ Data

M. F.

C13H19N3O2

Suppliers	Catalog Number
Enamine	EN300-69230

Database	Data ID
PubChem	43384214

M. W.

249.30886

CAS

Similarity

N/A

ID: 270380

methyl 3-{[(3-aminophenyl)methyl]sulfanyl}propanoate

$$$$ Data

M. F.

C11H15NO2S

Suppliers	Catalog Number
Enamine	EN300-69231

Database	Data ID
PubChem	43617681

M. W.

225.3073

CAS

Similarity

N/A

ID: 270381

(1R)-1-(2-ethoxyphenyl)ethan-1-ol

$$$$ Data

M. F.

C10H14O2

Suppliers	Catalog Number
Enamine	EN300-69232

Database	Data ID
PubChem	25324397

M. W.

166.21696

CAS

Similarity

N/A

ID: 270382

(1S)-1-(2,5-dimethoxyphenyl)ethan-1-ol

$$$$ Data

M. F.

C10H14O3

Suppliers	Catalog Number
Enamine	EN300-69233

Database	Data ID
PubChem	11480836

M. W.

182.21636

CAS

Similarity

N/A

ID: 270383

[(3,4-difluorophenyl)(pyridin-3-yl)methyl](ethyl)amine

$$$$ Data

M. F.

C14H14F2N2

Suppliers	Catalog Number
Enamine	EN300-69234

Database	Data ID
PubChem	43491331

M. W.

248.2711664

CAS

Similarity

N/A

ID: 270384

[(3,4-difluorophenyl)(pyridin-3-yl)methyl](methyl)amine

$$$$ Data

M. F.

C13H12F2N2

Suppliers	Catalog Number
Enamine	EN300-69235

Database	Data ID
PubChem	43484551

M. W.

234.2445864

CAS

Similarity

N/A

ID: 270385

ethyl[(4-fluorophenyl)(pyridin-4-yl)methyl]amine

$$$$ Data

M. F.

C14H15FN2

Suppliers	Catalog Number
Enamine	EN300-69236

Database	Data ID
PubChem	43488829

M. W.

230.2807032

CAS

Similarity

N/A

ID: 270386

4-(6-methoxypyridin-3-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

$$$$ Data

M. F.

C8H8N4OS

Suppliers	Catalog Number
Enamine	EN300-69237

Database	Data ID
PubChem	29064810

M. W.

208.24032

CAS

Similarity

N/A

ID: 270387

[(4-fluorophenyl)(pyridin-2-yl)methyl](methyl)amine

$$$$ Data

M. F.

C13H13FN2

Suppliers	Catalog Number
Enamine	EN300-69239

Database	Data ID
PubChem	50989038

M. W.

216.2541232

CAS

Similarity

N/A

ID: 270388

3-(methylamino)butanenitrile

$$$$ Data

M. F.

C5H10N2

Suppliers	Catalog Number
Enamine	EN300-69242

Database	Data ID
PubChem	12438035

M. W.

98.1463

CAS

Similarity

N/A

ID: 270389

4-[1-(cyclopropylamino)ethyl]phenol hydrochloride

$$$$ Data

M. F.

C11H16ClNO

Suppliers	Catalog Number
Enamine	EN300-69245

Database	Data ID
PubChem	50988119

M. W.

213.70384

CAS

Similarity

N/A

ID: 270390

1-{4-[(2-methoxyethyl)sulfanyl]phenyl}ethan-1-amine

$$$$ Data

M. F.

C11H17NOS

Suppliers	Catalog Number
Enamine	EN300-69247

Database	Data ID
PubChem	43446173

M. W.

211.32378

CAS

Similarity

N/A

ID: 270391

2-phenoxypyridin-4-amine

$$$$ Data

M. F.

C11H10N2O

Suppliers	Catalog Number
Enamine	EN300-69248

Database	Data ID
PubChem	603950

M. W.

186.2099

CAS

Similarity

N/A

ID: 270392

8-(3-aminopropoxy)quinoline dihydrochloride

$$$$ Data

M. F.

C12H16Cl2N2O

Suppliers	Catalog Number
Enamine	EN300-69249

Database	Data ID
PubChem	50988427

M. W.

275.17424

CAS

Similarity

N/A

ID: 270393

3-{2,4,6-trimethyl-3-oxo-1H,2H,3H-pyrazolo[3,4-b]pyridin-5-yl}propanoic acid

$$$$ Data

M. F.

C12H15N3O3

Suppliers	Catalog Number
Enamine	EN300-69251

Database	Data ID
PubChem	50989024

M. W.

249.2658

CAS

Similarity

N/A

ID: 270394

2-chloro-6-fluoro-N-hydroxybenzamide

$$$$ Data

M. F.

C7H5ClFNO2

Suppliers	Catalog Number
Enamine	EN300-69252

Database	Data ID
PubChem	24701959

M. W.

189.5715032

CAS

Similarity

N/A

ID: 270395

2-benzyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid

$$$$ Data

M. F.

C14H10N2O3S

Suppliers	Catalog Number
Enamine	EN300-69253

Database	Data ID
PubChem	16791734

M. W.

286.3058

CAS

Similarity

N/A

ID: 270396

3-(4-fluoro-3-methylbenzoyl)pyridine

$$$$ Data

M. F.

C13H10FNO

Suppliers	Catalog Number
Enamine	EN300-69254

Database	Data ID
PubChem	50987685

M. W.

215.2230032

CAS

Similarity

N/A

ID: 270397

2-(4-methanesulfonylphenyl)propanoic acid

$$$$ Data

M. F.

C10H12O4S

Suppliers	Catalog Number
Enamine	EN300-69255

Database	Data ID
PubChem	61238468

M. W.

228.26488

CAS

Similarity

N/A

ID: 270398

[(4-fluorophenyl)(pyridin-3-yl)methyl](methyl)amine

$$$$ Data

M. F.

C13H13FN2

Suppliers	Catalog Number
Enamine	EN300-69256

Database	Data ID
PubChem	22660898

M. W.

216.2541232

CAS

Similarity

N/A

ID: 270399

ethyl[(4-fluorophenyl)(pyridin-3-yl)methyl]amine

$$$$ Data

M. F.

C14H15FN2

Suppliers	Catalog Number
Enamine	EN300-69258

Database	Data ID
PubChem	43488830

M. W.

230.2807032

CAS

Similarity

N/A

ID: 270400

ethyl 3-(4-fluorobenzenesulfonyl)propanoate

$$$$ Data

M. F.

C11H13FO4S

Suppliers	Catalog Number
Enamine	EN300-69259

Database	Data ID
PubChem	43243101

M. W.

260.2819232

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