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

C20H16N2O2S — CID 92815911

IUPAC(4S)-2-oxo-N-(2-thiophen-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1C[C@H](C(=O)Nc2ccccc2-c2cccs2)c2ccccc2N1
InChIInChI=1S/C20H16N2O2S/c23-19-12-15(13-6-1-3-8-16(13)21-19)20(24)22-17-9-4-2-7-14(17)18-10-5-11-25-18/h1-11,15H,12H2,(H,21,23)(H,22,24)/t15-/m0/s1
InChIKeyAAAFCGNWJFDCRS-HNNXBMFYSA-N
MW348.43 g/mol
LogP4.48
Rot. Bonds3

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

(4S)-2-oxo-N-(2-thiophen-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 92815911) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is (4S)-2-oxo-N-(2-thiophen-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4S)-2-oxo-N-(2-thiophen-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID92815911
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name(4S)-2-oxo-N-(2-thiophen-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1C[C@H](C(=O)Nc2ccccc2-c2cccs2)c2ccccc2N1
InChIInChI=1S/C20H16N2O2S/c23-19-12-15(13-6-1-3-8-16(13)21-19)20(24)22-17-9-4-2-7-14(17)18-10-5-11-25-18/h1-11,15H,12H2,(H,21,23)(H,22,24)/t15-/m0/s1
InChIKeyAAAFCGNWJFDCRS-HNNXBMFYSA-N
XLogP4.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46696236
N-[2-(difluoromethylsulfanyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 134000047
2-oxo-N-(2-propan-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110702917
2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17493174
2-oxo-N-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46696496
(4S)-N-(2-methoxy-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 95133953
N-(2,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42930651
(4S)-N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51478917
(4R)-N-(5-chloro-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 33328669
N-[(3-methylthiophen-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46449099
N-(4-acetyl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 53498086
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 111519785

Frequently Asked Questions

What is the IUPAC name of (4S)-2-oxo-N-(2-thiophen-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4S)-2-oxo-N-(2-thiophen-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide (CID 92815911) is (4S)-2-oxo-N-(2-thiophen-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4S)-2-oxo-N-(2-thiophen-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4S)-2-oxo-N-(2-thiophen-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1C[C@H](C(=O)Nc2ccccc2-c2cccs2)c2ccccc2N1.
What is the InChIKey of (4S)-2-oxo-N-(2-thiophen-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is AAAFCGNWJFDCRS-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c23-19-12-15(13-6-1-3-8-16(13)21-19)20(24)22-17-9-4-2-7-14(17)18-10-5-11-25-18/h1-11,15H,12H2,(H,21,23)(H,22,24)/t15-/m0/s1.
What are the key properties of (4S)-2-oxo-N-(2-thiophen-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
(4S)-2-oxo-N-(2-thiophen-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-oxo-N-(2-thiophen-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 92815911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).