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

C16H13ClN2O2 — CID 51478917

IUPAC(4S)-N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1C[C@H](C(=O)Nc2ccc(Cl)cc2)c2ccccc2N1
InChIInChI=1S/C16H13ClN2O2/c17-10-5-7-11(8-6-10)18-16(21)13-9-15(20)19-14-4-2-1-3-12(13)14/h1-8,13H,9H2,(H,18,21)(H,19,20)/t13-/m0/s1
InChIKeyRVBLCUHURHGUHX-ZDUSSCGKSA-N
MW300.75 g/mol
LogP3.40
Rot. Bonds2

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

(4S)-N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 51478917) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is (4S)-N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID51478917
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name(4S)-N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1C[C@H](C(=O)Nc2ccc(Cl)cc2)c2ccccc2N1
InChIInChI=1S/C16H13ClN2O2/c17-10-5-7-11(8-6-10)18-16(21)13-9-15(20)19-14-4-2-1-3-12(13)14/h1-8,13H,9H2,(H,18,21)(H,19,20)/t13-/m0/s1
InChIKeyRVBLCUHURHGUHX-ZDUSSCGKSA-N
XLogP3.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17493174
(4S)-N-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51531802
(4S)-N-[4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 26078441
(4R)-N-(5-chloro-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 33328669
(4R)-N-(4-chloro-3-cyanophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 52550109
2-oxo-N-(4-piperidin-1-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17494934
N-(1,3-benzodioxol-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17488439
N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 74768088
N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 55892603
N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 55673090
2-oxo-N-(3-phenoxyphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 75835575
2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]pyrazol-1-yl]propanoic acid
CID 120697414

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4S)-N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 51478917) is (4S)-N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4S)-N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4S)-N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1C[C@H](C(=O)Nc2ccc(Cl)cc2)c2ccccc2N1.
What is the InChIKey of (4S)-N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is RVBLCUHURHGUHX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-10-5-7-11(8-6-10)18-16(21)13-9-15(20)19-14-4-2-1-3-12(13)14/h1-8,13H,9H2,(H,18,21)(H,19,20)/t13-/m0/s1.
What are the key properties of (4S)-N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
(4S)-N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 300.75 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 51478917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).