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

C17H16N2O3 — CID 51531802

IUPAC(4S)-N-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H16N2O3/c1-22-12-8-6-11(7-9-12)18-17(21)14-10-16(20)19-15-5-3-2-4-13(14)15/h2-9,14H,10H2,1H3,(H,18,21)(H,19,20)/t14-/m0/s1
InChIKeyBUXWMSFHBNNEIQ-AWEZNQCLSA-N
MW296.33 g/mol
LogP2.76
Rot. Bonds3

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

(4S)-N-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 51531802) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is (4S)-N-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID51531802
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name(4S)-N-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H16N2O3/c1-22-12-8-6-11(7-9-12)18-17(21)14-10-16(20)19-15-5-3-2-4-13(14)15/h2-9,14H,10H2,1H3,(H,18,21)(H,19,20)/t14-/m0/s1
InChIKeyBUXWMSFHBNNEIQ-AWEZNQCLSA-N
XLogP2.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17493174
(4S)-N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51478917
(4S)-N-[4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 26078441
2-oxo-N-(4-piperidin-1-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17494934
2-oxo-N-(3-phenoxyphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 75835575
1-(4-methoxyphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine
CID 111823663
(4S)-N-(2-methoxy-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 95133953
N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 55892603
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
(4S)-5-cyano-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-4-carboxamide
CID 40771868
(4R)-N-(4-chloro-3-cyanophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 52550109

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4S)-N-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 51531802) is (4S)-N-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4S)-N-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4S)-N-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is COc1ccc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)cc1.
What is the InChIKey of (4S)-N-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is BUXWMSFHBNNEIQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-22-12-8-6-11(7-9-12)18-17(21)14-10-16(20)19-15-5-3-2-4-13(14)15/h2-9,14H,10H2,1H3,(H,18,21)(H,19,20)/t14-/m0/s1.
What are the key properties of (4S)-N-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
(4S)-N-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 51531802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).