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

C18H15ClN2O2 — CID 24939142

IUPACN-[(2-chlorophenyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2Cl)c(=O)[nH]c2ccccc12
InChIInChI=1S/C18H15ClN2O2/c1-11-13-7-3-5-9-15(13)21-18(23)16(11)17(22)20-10-12-6-2-4-8-14(12)19/h2-9H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyZHJOCBOIZNSTEA-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.42
Rot. Bonds3

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

N-[(2-chlorophenyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 24939142) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
PubChem CID24939142
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC NameN-[(2-chlorophenyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2Cl)c(=O)[nH]c2ccccc12
InChIInChI=1S/C18H15ClN2O2/c1-11-13-7-3-5-9-15(13)21-18(23)16(11)17(22)20-10-12-6-2-4-8-14(12)19/h2-9H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyZHJOCBOIZNSTEA-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-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 24939135
3-acetyl-4-methyl-1H-quinolin-2-one
CID 102153269
N-[(2S)-2-cyanopropyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 96528870
4-methyl-2-oxo-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide
CID 24939140
4-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 24951306
N-[(1-hydroxycyclobutyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 111779687
4-methyl-2-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]-1H-quinoline-3-carboxamide
CID 167965401
N-[(2-chlorophenyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832010
6,8-dibromo-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54675900
N-[(2-chlorophenyl)methyl]-1H-indazole-3-carboxamide;N-[(4-methylphenyl)methyl]-1H-indazole-3-carboxamide
CID 69079053
N-[(2-chlorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698237
3-[methyl-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)amino]propanoic acid
CID 119362374

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide (CID 24939142) is N-[(2-chlorophenyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide is Cc1c(C(=O)NCc2ccccc2Cl)c(=O)[nH]c2ccccc12.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is ZHJOCBOIZNSTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-11-13-7-3-5-9-15(13)21-18(23)16(11)17(22)20-10-12-6-2-4-8-14(12)19/h2-9H,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide?
N-[(2-chlorophenyl)methyl]-4-methyl-2-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-[(2-chlorophenyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 24939142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).