3-amino-5-oxo-N-pyridin-2-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide

C17H14N4O2S — CID 155813416

IUPAC3-amino-5-oxo-N-pyridin-2-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
SMILESNc1c(C(=O)Nc2ccccn2)sc2nc3c(cc12)C(=O)CCC3
InChIInChI=1S/C17H14N4O2S/c18-14-10-8-9-11(4-3-5-12(9)22)20-17(10)24-15(14)16(23)21-13-6-1-2-7-19-13/h1-2,6-8H,3-5,18H2,(H,19,21,23)
InChIKeyKBAJDJHKIOBAHC-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.04
Rot. Bonds2

About 3-amino-5-oxo-N-pyridin-2-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide

3-amino-5-oxo-N-pyridin-2-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide (PubChem CID 155813416) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is 3-amino-5-oxo-N-pyridin-2-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-oxo-N-pyridin-2-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
PubChem CID155813416
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC Name3-amino-5-oxo-N-pyridin-2-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
SMILESNc1c(C(=O)Nc2ccccn2)sc2nc3c(cc12)C(=O)CCC3
InChIInChI=1S/C17H14N4O2S/c18-14-10-8-9-11(4-3-5-12(9)22)20-17(10)24-15(14)16(23)21-13-6-1-2-7-19-13/h1-2,6-8H,3-5,18H2,(H,19,21,23)
InChIKeyKBAJDJHKIOBAHC-UHFFFAOYSA-N
XLogP3.04
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-5-oxo-N-pyridin-2-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide with MolForge

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Related Compounds

3-amino-N-(2-methylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
CID 1387507
3-amino-N-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
CID 1390366
3-amino-N-(3-bromophenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
CID 155805166
3-amino-N-(3-fluorophenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
CID 4906437
3-amino-2-benzoyl-7,8-dihydro-6H-thieno[2,3-b]quinolin-5-one
CID 797561
6-amino-N-pyridin-4-yl-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide
CID 21232440
6-amino-N-(1,3-thiazol-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide
CID 805392
3-amino-7,7-dimethyl-N-(2-methylphenyl)-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide
CID 1330576
3-amino-N-(2-fluorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 2059515
6-amino-N-(2-ethylphenyl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide
CID 171133147
6-amino-N-(4-methylphenyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide
CID 839017
3-amino-N-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1005081

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-oxo-N-pyridin-2-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-5-oxo-N-pyridin-2-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide (CID 155813416) is 3-amino-5-oxo-N-pyridin-2-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-5-oxo-N-pyridin-2-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-5-oxo-N-pyridin-2-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide is Nc1c(C(=O)Nc2ccccn2)sc2nc3c(cc12)C(=O)CCC3.
What is the InChIKey of 3-amino-5-oxo-N-pyridin-2-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is KBAJDJHKIOBAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c18-14-10-8-9-11(4-3-5-12(9)22)20-17(10)24-15(14)16(23)21-13-6-1-2-7-19-13/h1-2,6-8H,3-5,18H2,(H,19,21,23).
What are the key properties of 3-amino-5-oxo-N-pyridin-2-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide?
3-amino-5-oxo-N-pyridin-2-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-oxo-N-pyridin-2-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 155813416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).