(4S)-N-[4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C18H17N3O3 — CID 26078441

IUPAC(4S)-N-[4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C18H17N3O3/c1-19-17(23)11-6-8-12(9-7-11)20-18(24)14-10-16(22)21-15-5-3-2-4-13(14)15/h2-9,14H,10H2,1H3,(H,19,23)(H,20,24)(H,21,22)/t14-/m0/s1
InChIKeyNPPCBDYCZFWTFJ-AWEZNQCLSA-N
MW323.35 g/mol
LogP2.11
Rot. Bonds3

About (4S)-N-[4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

(4S)-N-[4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 26078441) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is (4S)-N-[4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID26078441
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name(4S)-N-[4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C18H17N3O3/c1-19-17(23)11-6-8-12(9-7-11)20-18(24)14-10-16(22)21-15-5-3-2-4-13(14)15/h2-9,14H,10H2,1H3,(H,19,23)(H,20,24)(H,21,22)/t14-/m0/s1
InChIKeyNPPCBDYCZFWTFJ-AWEZNQCLSA-N
XLogP2.11
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17493174
N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 55892603
(4S)-N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51478917
(4S)-N-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51531802
2-oxo-N-(4-piperidin-1-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17494934
(4R)-N-(4-chloro-3-cyanophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 52550109
N-(1,3-benzodioxol-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17488439
N-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46696236
N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 55673090
2-oxo-N-(2-propan-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110702917
2-oxo-N-(3-phenoxyphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 75835575
N-[2-(methylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119503581

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4S)-N-[4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 26078441) is (4S)-N-[4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4S)-N-[4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4S)-N-[4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CNC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)cc1.
What is the InChIKey of (4S)-N-[4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is NPPCBDYCZFWTFJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-19-17(23)11-6-8-12(9-7-11)20-18(24)14-10-16(22)21-15-5-3-2-4-13(14)15/h2-9,14H,10H2,1H3,(H,19,23)(H,20,24)(H,21,22)/t14-/m0/s1.
What are the key properties of (4S)-N-[4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
(4S)-N-[4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 26078441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).