3-amino-N-cyclopentyl-6-methoxythieno[2,3-b]quinoline-2-carboxamide

C18H19N3O2S — CID 856692

IUPAC3-amino-N-cyclopentyl-6-methoxythieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc2nc3sc(C(=O)NC4CCCC4)c(N)c3cc2c1
InChIInChI=1S/C18H19N3O2S/c1-23-12-6-7-14-10(8-12)9-13-15(19)16(24-18(13)21-14)17(22)20-11-4-2-3-5-11/h6-9,11H,2-5,19H2,1H3,(H,20,22)
InChIKeyGAAPGDKUTVGLNT-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.71
Rot. Bonds3

About 3-amino-N-cyclopentyl-6-methoxythieno[2,3-b]quinoline-2-carboxamide

3-amino-N-cyclopentyl-6-methoxythieno[2,3-b]quinoline-2-carboxamide (PubChem CID 856692) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 3-amino-N-cyclopentyl-6-methoxythieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopentyl-6-methoxythieno[2,3-b]quinoline-2-carboxamide
PubChem CID856692
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name3-amino-N-cyclopentyl-6-methoxythieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc2nc3sc(C(=O)NC4CCCC4)c(N)c3cc2c1
InChIInChI=1S/C18H19N3O2S/c1-23-12-6-7-14-10(8-12)9-13-15(19)16(24-18(13)21-14)17(22)20-11-4-2-3-5-11/h6-9,11H,2-5,19H2,1H3,(H,20,22)
InChIKeyGAAPGDKUTVGLNT-UHFFFAOYSA-N
XLogP3.71
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-6-methoxy-N-(2-methylcyclohexyl)thieno[2,3-b]quinoline-2-carboxamide
CID 3167506
methyl 2-[(3-amino-6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]acetate
CID 155515018
3-amino-N-tert-butyl-6-ethoxythieno[2,3-b]quinoline-2-carboxamide
CID 3207407
methyl 3-amino-6-ethoxythieno[2,3-b]quinoline-2-carboxylate
CID 865502
3-amino-N-(2-carbamoylphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 3599566
3-amino-N-(2-ethoxyphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 3207356
3-amino-7-methoxy-N-(4-methoxyphenyl)thieno[2,3-b]quinoline-2-carboxamide
CID 1132039
6-amino-N-cycloheptyl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide
CID 23997917
3-amino-6-ethoxy-N-phenylthieno[2,3-b]quinoline-2-carboxamide
CID 1156787
3-amino-N-(2,5-dimethoxyphenyl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide
CID 43812053
methyl 3-amino-6-fluorothieno[2,3-b]quinoline-2-carboxylate
CID 155568119
3-amino-6-ethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide
CID 3207423

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopentyl-6-methoxythieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-N-cyclopentyl-6-methoxythieno[2,3-b]quinoline-2-carboxamide (CID 856692) is 3-amino-N-cyclopentyl-6-methoxythieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopentyl-6-methoxythieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-N-cyclopentyl-6-methoxythieno[2,3-b]quinoline-2-carboxamide is COc1ccc2nc3sc(C(=O)NC4CCCC4)c(N)c3cc2c1.
What is the InChIKey of 3-amino-N-cyclopentyl-6-methoxythieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is GAAPGDKUTVGLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-23-12-6-7-14-10(8-12)9-13-15(19)16(24-18(13)21-14)17(22)20-11-4-2-3-5-11/h6-9,11H,2-5,19H2,1H3,(H,20,22).
What are the key properties of 3-amino-N-cyclopentyl-6-methoxythieno[2,3-b]quinoline-2-carboxamide?
3-amino-N-cyclopentyl-6-methoxythieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopentyl-6-methoxythieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 856692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).