N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide

C17H13ClN2O2 — CID 123757934

IUPACN-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C17H13ClN2O2/c18-13-7-5-11(6-8-13)10-19-16(21)14-9-12-3-1-2-4-15(12)20-17(14)22/h1-9H,10H2,(H,19,21)(H,20,22)
InChIKeyDSAZVGFYXCHPQT-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.11
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide

N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 123757934) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
PubChem CID123757934
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC NameN-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C17H13ClN2O2/c18-13-7-5-11(6-8-13)10-19-16(21)14-9-12-3-1-2-4-15(12)20-17(14)22/h1-9H,10H2,(H,19,21)(H,20,22)
InChIKeyDSAZVGFYXCHPQT-UHFFFAOYSA-N
XLogP3.11
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731957
N-[(3,4-dihydroxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731918
N-[(6-methoxy-3-pyridinyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 16613259
N-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide
CID 142731854
2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 66951790
N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 16613028
2-oxo-N-(pyridin-2-ylmethyl)-1H-quinoline-3-carboxamide
CID 16589995
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 55694019
N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 55844693
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 55485654
3-chloro-N-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridazine-5-carboxamide
CID 69217820
(7S)-N-[(4-chlorophenyl)methyl]-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 93069126

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide (CID 123757934) is N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide is O=C(NCc1ccc(Cl)cc1)c1cc2ccccc2[nH]c1=O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is DSAZVGFYXCHPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c18-13-7-5-11(6-8-13)10-19-16(21)14-9-12-3-1-2-4-15(12)20-17(14)22/h1-9H,10H2,(H,19,21)(H,20,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide?
N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 312.76 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 123757934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).