(4R)-N-(4-chloro-3-cyanophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C17H12ClN3O2 — CID 52550109

IUPAC(4R)-N-(4-chloro-3-cyanophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESN#Cc1cc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)ccc1Cl
InChIInChI=1S/C17H12ClN3O2/c18-14-6-5-11(7-10(14)9-19)20-17(23)13-8-16(22)21-15-4-2-1-3-12(13)15/h1-7,13H,8H2,(H,20,23)(H,21,22)/t13-/m1/s1
InChIKeyWSXOGMKBRBKZJE-CYBMUJFWSA-N
MW325.76 g/mol
LogP3.28
Rot. Bonds2

About (4R)-N-(4-chloro-3-cyanophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

(4R)-N-(4-chloro-3-cyanophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 52550109) has the molecular formula C17H12ClN3O2 and a molecular weight of 325.76 g/mol. Its IUPAC name is (4R)-N-(4-chloro-3-cyanophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(4-chloro-3-cyanophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID52550109
Molecular FormulaC17H12ClN3O2
Molecular Weight325.76 g/mol
Exact Mass325.06
IUPAC Name(4R)-N-(4-chloro-3-cyanophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESN#Cc1cc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)ccc1Cl
InChIInChI=1S/C17H12ClN3O2/c18-14-6-5-11(7-10(14)9-19)20-17(23)13-8-16(22)21-15-4-2-1-3-12(13)15/h1-7,13H,8H2,(H,20,23)(H,21,22)/t13-/m1/s1
InChIKeyWSXOGMKBRBKZJE-CYBMUJFWSA-N
XLogP3.28
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4R)-N-(4-chloro-3-cyanophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide with MolForge

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Related Compounds

(4S)-N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51478917
2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17493174
N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 55673090
N-(1,3-benzodioxol-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17488439
(4S)-N-[4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 26078441
(4S)-N-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51531802
2-oxo-N-(3-phenoxyphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 75835575
N-[3-(dimethylsulfamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42930654
2-oxo-N-(4-piperidin-1-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17494934
(4R)-N-(5-chloro-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 33328669
N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 55892603
(4R)-2-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51934372

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(4-chloro-3-cyanophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4R)-N-(4-chloro-3-cyanophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 52550109) is (4R)-N-(4-chloro-3-cyanophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4R)-N-(4-chloro-3-cyanophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4R)-N-(4-chloro-3-cyanophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is N#Cc1cc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)ccc1Cl.
What is the InChIKey of (4R)-N-(4-chloro-3-cyanophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is WSXOGMKBRBKZJE-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H12ClN3O2/c18-14-6-5-11(7-10(14)9-19)20-17(23)13-8-16(22)21-15-4-2-1-3-12(13)15/h1-7,13H,8H2,(H,20,23)(H,21,22)/t13-/m1/s1.
What are the key properties of (4R)-N-(4-chloro-3-cyanophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
(4R)-N-(4-chloro-3-cyanophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 325.76 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(4-chloro-3-cyanophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 52550109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).