Chembase list of 866358 unique molecular structures

tert-butyl 3-oxo-octahydroimidazolidino[1,5-a]piperazine-7-carboxylate

$$$$ Data

M. F.

C11H19N3O3

Suppliers	Catalog Number
Enamine	EN300-97091

Database	Data ID
PubChem	49844842

M. W.

241.28686

CAS

Similarity

N/A

ID: 285602

[(3-chlorophenyl)methyl](2,2-dimethoxyethyl)amine

$$$$ Data

M. F.

C11H16ClNO2

Suppliers	Catalog Number
Enamine	EN300-97093

Database	Data ID
PubChem	60657354

M. W.

229.70324

CAS

Similarity

N/A

ID: 285603

6-chloro-1-methyl-1,2,3,4-tetrahydroquinoxaline

$$$$ Data

M. F.

C9H11ClN2

Suppliers	Catalog Number
Enamine	EN300-97095

Database	Data ID
PubChem	71607468

M. W.

182.65004

CAS

Similarity

N/A

ID: 285604

3-[benzyl(methyl)amino]-2,2-dimethylpropanal

$$$$ Data

M. F.

C13H19NO

Suppliers	Catalog Number
Enamine	EN300-97096

Database	Data ID
PubChem	62275792

M. W.

205.29606

CAS

Similarity

N/A

ID: 285605

3-amino-6-nitro-1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-9-one

$$$$ Data

M. F.

C11H10N4O3

Suppliers	Catalog Number
Enamine	EN300-97104

Database	Data ID
PubChem	73994721

M. W.

246.2221

CAS

Similarity

N/A

ID: 285606

3-bromo-6-nitro-1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-9-one

$$$$ Data

M. F.

C11H8BrN3O3

Suppliers	Catalog Number
Enamine	EN300-97105

Database	Data ID
PubChem	73994722

M. W.

310.10352

CAS

Similarity

N/A

ID: 285607

3-bromo-7-fluoro-1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-9-one

$$$$ Data

M. F.

C11H8BrFN2O

Suppliers	Catalog Number
Enamine	EN300-97106

Database	Data ID
PubChem	22048069

M. W.

283.0964232

CAS

Similarity

N/A

ID: 285608

3-amino-7-fluoro-1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-9-one

$$$$ Data

M. F.

C11H10FN3O

Suppliers	Catalog Number
Enamine	EN300-97107

Database	Data ID
PubChem	73994723

M. W.

219.2150032

CAS

Similarity

N/A

ID: 285609

3-amino-7-nitro-1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-9-one

$$$$ Data

M. F.

C11H10N4O3

Suppliers	Catalog Number
Enamine	EN300-97108

Database	Data ID
PubChem	73994724

M. W.

246.2221

CAS

Similarity

N/A

ID: 285610

ethyl 4-amino-11-methyl-3-thia-11-azatricyclo[6.2.1.0²,⁶]u...

$$$$ Data

M. F.

C13H18N2O2S

Suppliers	Catalog Number
Enamine	EN300-97109

Database	Data ID
PubChem	43131585

M. W.

266.35922

CAS

Similarity

N/A

ID: 285611

6-bromo-2-nitro-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-11-one

$$$$ Data

M. F.

C12H10BrN3O3

Suppliers	Catalog Number
Enamine	EN300-97112

Database	Data ID
PubChem	73994725

M. W.

324.1301

CAS

Similarity

N/A

ID: 285612

[(adamantan-1-yl)carbamoyl]methyl 4-methanesulfonyl-3-nitrobenzoate

$$$$ Data

M. F.

C20H24N2O7S

Suppliers	Catalog Number
Enamine	EN300-97114

Database	Data ID
PubChem	5184800

M. W.

436.47876

CAS

Similarity

N/A

ID: 285613

6-amino-2-nitro-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-11-one

$$$$ Data

M. F.

C12H12N4O3

Suppliers	Catalog Number
Enamine	EN300-97115

Database	Data ID
PubChem	73994726

M. W.

260.24868

CAS

Similarity

N/A

ID: 285614

6-amino-3-nitro-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-11-one

$$$$ Data

M. F.

C12H12N4O3

Suppliers	Catalog Number
Enamine	EN300-97116

Database	Data ID
PubChem	73994727

M. W.

260.24868

CAS

Similarity

N/A

ID: 285615

6-bromo-3-nitro-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-11-one

$$$$ Data

M. F.

C12H10BrN3O3

Suppliers	Catalog Number
Enamine	EN300-97117

Database	Data ID
PubChem	73994728

M. W.

324.1301

CAS

Similarity

N/A

ID: 285616

6-bromo-4-methyl-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-11-one

$$$$ Data

M. F.

C13H13BrN2O

Suppliers	Catalog Number
Enamine	EN300-97118

Database	Data ID
PubChem	73994729

M. W.

293.15912

CAS

Similarity

N/A

ID: 285617

6-amino-4-methyl-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-11-one

$$$$ Data

M. F.

C13H15N3O

Suppliers	Catalog Number
Enamine	EN300-97122

Database	Data ID
PubChem	73994730

M. W.

229.2777

CAS

Similarity

N/A

ID: 285618

3-amino-5-methyl-1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-9-one

$$$$ Data

M. F.

C12H13N3O

Suppliers	Catalog Number
Enamine	EN300-97123

Database	Data ID
PubChem	73994731

M. W.

215.25112

CAS

Similarity

N/A

ID: 285619

3-bromo-5-methyl-1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-9-one

$$$$ Data

M. F.

C12H11BrN2O

Suppliers	Catalog Number
Enamine	EN300-97124

Database	Data ID
PubChem	73994732

M. W.

279.13254

CAS

Similarity

N/A

ID: 285620

3-bromo-6-chloro-1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-9-one

$$$$ Data

M. F.

C11H8BrClN2O

Suppliers	Catalog Number
Enamine	EN300-97125

Database	Data ID
PubChem	22048077

M. W.

299.55102

CAS

Similarity

N/A

ID: 285621

3-amino-6-chloro-1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-9-one

$$$$ Data

M. F.

C11H10ClN3O

Suppliers	Catalog Number
Enamine	EN300-97126

Database	Data ID
PubChem	73994733

M. W.

235.6696

CAS

Similarity

N/A

ID: 285622

6-amino-3-chloro-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-11-one

$$$$ Data

M. F.

C12H12ClN3O

Suppliers	Catalog Number
Enamine	EN300-97127

Database	Data ID
PubChem	73994734

M. W.

249.69618

CAS

Similarity

N/A

ID: 285623

6-bromo-3-chloro-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-11-one

$$$$ Data

M. F.

C12H10BrClN2O

Suppliers	Catalog Number
Enamine	EN300-97129

Database	Data ID
PubChem	73994735

M. W.

313.5776

CAS

Similarity

N/A

ID: 285624

6-bromo-2-methyl-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-11-one

$$$$ Data

M. F.

C13H13BrN2O

Suppliers	Catalog Number
Enamine	EN300-97130

Database	Data ID
PubChem	73994736

M. W.

293.15912

CAS

Similarity

N/A

ID: 285625

6-amino-2-methyl-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-11-one

$$$$ Data

M. F.

C13H15N3O

Suppliers	Catalog Number
Enamine	EN300-97132

Database	Data ID
PubChem	73994737

M. W.

229.2777

CAS

Similarity

N/A

ID: 285626

3-amino-7-methyl-1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-9-one

$$$$ Data

M. F.

C12H13N3O

Suppliers	Catalog Number
Enamine	EN300-97133

Database	Data ID
PubChem	73994738

M. W.

215.25112

CAS

Similarity

N/A

ID: 285627

3-bromo-7-methyl-1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-9-one

$$$$ Data

M. F.

C12H11BrN2O

Suppliers	Catalog Number
Enamine	EN300-97134

Database	Data ID
PubChem	73994739

M. W.

279.13254

CAS

Similarity

N/A

ID: 285628

3-bromo-8-methyl-1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-9-one

$$$$ Data

M. F.

C12H11BrN2O

Suppliers	Catalog Number
Enamine	EN300-97135

Database	Data ID
PubChem	73994740

M. W.

279.13254

CAS

Similarity

N/A

ID: 285629

3-amino-8-methyl-1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-9-one

$$$$ Data

M. F.

C12H13N3O

Suppliers	Catalog Number
Enamine	EN300-97136

Database	Data ID
PubChem	73994741

M. W.

215.25112

CAS

Similarity

N/A

ID: 285630

6-amino-1-methyl-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-11-one

$$$$ Data

M. F.

C13H15N3O

Suppliers	Catalog Number
Enamine	EN300-97137

Database	Data ID
PubChem	73994742

M. W.

229.2777

CAS

Similarity

N/A

ID: 285631

6-bromo-1-methyl-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-11-one

$$$$ Data

M. F.

C13H13BrN2O

Suppliers	Catalog Number
Enamine	EN300-97138

Database	Data ID
PubChem	73994743

M. W.

293.15912

CAS

Similarity

N/A

ID: 285632

4-chloro-2-sulfanylbenzoic acid

$$$$ Data

M. F.

C7H5ClO2S

Suppliers	Catalog Number
Enamine	EN300-97140

Database	Data ID
PubChem	20456974

M. W.

188.6314

CAS

Similarity

N/A

ID: 285633

2-chloro-5-sulfanylbenzoic acid

$$$$ Data

M. F.

C7H5ClO2S

Suppliers	Catalog Number
Enamine	EN300-97150

Database	Data ID
PubChem	15086346

M. W.

188.6314

CAS

Similarity

N/A

ID: 285634

10-amino-6-thia-1,8-diazatricyclo[7.3.0.0³,⁷]dodeca-3(7),4...

$$$$ Data

M. F.

C9H9N3OS

Suppliers	Catalog Number
Enamine	EN300-97163

Database	Data ID
PubChem	73994744

M. W.

207.25226

CAS

Similarity

N/A

ID: 285635

10-amino-6-thia-1,8-diazatricyclo[7.4.0.0³,⁷]trideca-3(7),...

$$$$ Data

M. F.

C10H11N3OS

Suppliers	Catalog Number
Enamine	EN300-97164

Database	Data ID
PubChem	73994745

M. W.

221.27884

CAS

Similarity

N/A

ID: 285636

10-bromo-6-thia-1,8-diazatricyclo[7.4.0.0³,⁷]trideca-3(7),...

$$$$ Data

M. F.

C10H9BrN2OS

Suppliers	Catalog Number
Enamine	EN300-97165

Database	Data ID
PubChem	73994746

M. W.

285.16026

CAS

Similarity

N/A

ID: 285637

10-bromo-6-thia-1,8-diazatricyclo[7.3.0.0³,⁷]dodeca-3(7),4...

$$$$ Data

M. F.

C9H7BrN2OS

Suppliers	Catalog Number
Enamine	EN300-97166

Database	Data ID
PubChem	73994747

M. W.

271.13368

CAS

Similarity

N/A

ID: 285638

[4-(3,4-difluorophenoxy)pyridin-2-yl]methanamine

$$$$ Data

M. F.

C12H10F2N2O

Suppliers	Catalog Number
Enamine	EN300-97167

Database	Data ID
PubChem	62322599

M. W.

236.2174064

CAS

Similarity

N/A

ID: 285639

8-aminooctanoic acid hydrochloride

$$$$ Data

M. F.

C8H18ClNO2

Suppliers	Catalog Number
Enamine	EN300-97172

Database	Data ID
PubChem	17803404

M. W.

195.68702

CAS

Similarity

N/A

ID: 285640

methyl 2,4-dioxopyrrolidine-3-carboxylate

$$$$ Data

M. F.

C6H7NO4

Suppliers	Catalog Number
Enamine	EN300-97174

Database	Data ID
PubChem	533986

M. W.

157.12408

CAS

Similarity

N/A

ID: 285641

tert-butyl 4-(5-amino-4H-1,2,4-triazol-3-yl)piperazine-1-carboxylate

$$$$ Data

M. F.

C11H20N6O2

Suppliers	Catalog Number
Enamine	EN300-97175

Database	Data ID
PubChem	46941973

M. W.

268.3155

CAS

Similarity

N/A

ID: 285642

5-(2,5-difluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid

$$$$ Data

M. F.

C9H4F2N2O3

Suppliers	Catalog Number
Enamine	EN300-97176

Database	Data ID
PubChem	63383244

M. W.

226.1364664

CAS

Similarity

N/A

ID: 285643

2-(1-methyl-1H-pyrrol-2-yl)piperidine

$$$$ Data

M. F.

C10H16N2

Suppliers	Catalog Number
Enamine	EN300-97181

Database	Data ID
PubChem	43121988

M. W.

164.24744

CAS

Similarity

N/A

ID: 285644

1-(2-methoxyphenyl)-3-methylbutan-1-amine

$$$$ Data

M. F.

C12H19NO

Suppliers	Catalog Number
Enamine	EN300-97182

Database	Data ID
PubChem	60798864

M. W.

193.28536

CAS

Similarity

N/A

ID: 285645

(5-fluoro-2-methoxyphenyl)(3-methoxyphenyl)methanamine

$$$$ Data

M. F.

C15H16FNO2

Suppliers	Catalog Number
Enamine	EN300-97183

Database	Data ID
PubChem	43122345

M. W.

261.2914432

CAS

Similarity

N/A

ID: 285646

tert-butyl morpholine-2-carboxylate

$$$$ Data

M. F.

C9H17NO3

Suppliers	Catalog Number
Enamine	EN300-97185

Database	Data ID
PubChem	61737805

M. W.

187.23618

CAS

Similarity

N/A

ID: 285647

1-methyl-2,3-dihydro-1H-isoindole

$$$$ Data

M. F.

C9H11N

Suppliers	Catalog Number
Enamine	EN300-97186
A&J Pharmtech	AJA-O1171

Database	Data ID
PubChem	14491714

M. W.

133.19034

CAS

127797-12-0

Similarity

N/A

ID: 285648

chloromethyl benzoate

$$$$ Data

M. F.

C8H7ClO2

Suppliers	Catalog Number
Enamine	EN300-97187
Bide Pharmatech	BD105529
A&J Pharmtech	AJA-O13543 AJA-O38625

Database	Data ID
PubChem	79257

M. W.

170.59298

CAS

5335-05-7

Similarity

N/A

ID: 285649

5-bromo-6,7,8,9-tetrahydro-5H-benzo[7]annulene

$$$$ Data

M. F.

C11H13Br

Suppliers	Catalog Number
Enamine	EN300-97188

Database	Data ID
PubChem	43141442

M. W.

225.12492

CAS

Similarity

N/A

ID: 285650

4-[2-(piperidin-4-yloxy)ethyl]morpholine

$$$$ Data

M. F.

C11H22N2O2

Suppliers	Catalog Number
Enamine	EN300-97189

Database	Data ID
PubChem	43167820

M. W.

214.30458

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