N-[(4-chloro-3-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide

C18H15ClN2O2 — CID 154801359

IUPACN-[(4-chloro-3-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1cc(CNC(=O)c2c[nH]c3ccccc3c2=O)ccc1Cl
InChIInChI=1S/C18H15ClN2O2/c1-11-8-12(6-7-15(11)19)9-21-18(23)14-10-20-16-5-3-2-4-13(16)17(14)22/h2-8,10H,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyUXGKSLISPXTVDH-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.42
Rot. Bonds3

About N-[(4-chloro-3-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide

N-[(4-chloro-3-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 154801359) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is N-[(4-chloro-3-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-3-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID154801359
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC NameN-[(4-chloro-3-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1cc(CNC(=O)c2c[nH]c3ccccc3c2=O)ccc1Cl
InChIInChI=1S/C18H15ClN2O2/c1-11-8-12(6-7-15(11)19)9-21-18(23)14-10-20-16-5-3-2-4-13(16)17(14)22/h2-8,10H,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyUXGKSLISPXTVDH-UHFFFAOYSA-N
XLogP3.42
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 39994530
4-oxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-quinoline-3-carboxamide
CID 60553799
7-chloro-N-[[4-(methylaminomethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 18473034
N-[2-[(3-acetamidophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 47056675
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 111451138
N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55789378
N-benzyl-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 18473067
4-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-quinoline-3-carboxamide
CID 38762920
N-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 60506475
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 18473146
ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane
CID 90785095
N-(2-chloro-4,6-dimethylphenyl)-1H-indole-3-carboxamide
CID 113205562

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(4-chloro-3-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide (CID 154801359) is N-[(4-chloro-3-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(4-chloro-3-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(4-chloro-3-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide is Cc1cc(CNC(=O)c2c[nH]c3ccccc3c2=O)ccc1Cl.
What is the InChIKey of N-[(4-chloro-3-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is UXGKSLISPXTVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-11-8-12(6-7-15(11)19)9-21-18(23)14-10-20-16-5-3-2-4-13(16)17(14)22/h2-8,10H,9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[(4-chloro-3-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide?
N-[(4-chloro-3-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 326.78 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 154801359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).