(4S)-7-fluoro-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide

C15H13FN2O2S — CID 29434866

IUPAC(4S)-7-fluoro-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1C[C@H](C(=O)NCc2cccs2)c2ccc(F)cc2N1
InChIInChI=1S/C15H13FN2O2S/c16-9-3-4-11-12(7-14(19)18-13(11)6-9)15(20)17-8-10-2-1-5-21-10/h1-6,12H,7-8H2,(H,17,20)(H,18,19)/t12-/m0/s1
InChIKeyZIBPNYUKJFCLKW-LBPRGKRZSA-N
MW304.35 g/mol
LogP2.63
Rot. Bonds3

About (4S)-7-fluoro-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide

(4S)-7-fluoro-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 29434866) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is (4S)-7-fluoro-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4S)-7-fluoro-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID29434866
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC Name(4S)-7-fluoro-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1C[C@H](C(=O)NCc2cccs2)c2ccc(F)cc2N1
InChIInChI=1S/C15H13FN2O2S/c16-9-3-4-11-12(7-14(19)18-13(11)6-9)15(20)17-8-10-2-1-5-21-10/h1-6,12H,7-8H2,(H,17,20)(H,18,19)/t12-/m0/s1
InChIKeyZIBPNYUKJFCLKW-LBPRGKRZSA-N
XLogP2.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4S)-7-fluoro-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136813
(4S)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 29434450
(4S)-7-fluoro-2-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94023245
N-[[2-(diethylaminomethyl)phenyl]methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42931734
7-fluoro-2-oxo-N-[(3-phenylcyclobutyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 167920082
7-fluoro-N-(3-methylbutyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136289
7-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110888737
N-[2-(1-benzothiophen-3-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 138992300
(4R)-7-fluoro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 31615064
7-fluoro-2-oxo-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 78839164
(4S)-7-fluoro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 41406742
N-[2-(cyclopropylamino)-2-oxoethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18163943

Frequently Asked Questions

What is the IUPAC name of (4S)-7-fluoro-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4S)-7-fluoro-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide (CID 29434866) is (4S)-7-fluoro-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4S)-7-fluoro-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4S)-7-fluoro-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1C[C@H](C(=O)NCc2cccs2)c2ccc(F)cc2N1.
What is the InChIKey of (4S)-7-fluoro-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is ZIBPNYUKJFCLKW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c16-9-3-4-11-12(7-14(19)18-13(11)6-9)15(20)17-8-10-2-1-5-21-10/h1-6,12H,7-8H2,(H,17,20)(H,18,19)/t12-/m0/s1.
What are the key properties of (4S)-7-fluoro-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
(4S)-7-fluoro-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-fluoro-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 29434866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).