1-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide

C19H18N2O2 — CID 110694470

IUPAC1-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(=O)n(C)c3ccccc23)cc1
InChIInChI=1S/C19H18N2O2/c1-13-7-9-14(10-8-13)12-20-19(23)16-11-18(22)21(2)17-6-4-3-5-15(16)17/h3-11H,12H2,1-2H3,(H,20,23)
InChIKeyPOKKCHHDOBDHJY-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.78
Rot. Bonds3

About 1-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide

1-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide (PubChem CID 110694470) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide
PubChem CID110694470
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(=O)n(C)c3ccccc23)cc1
InChIInChI=1S/C19H18N2O2/c1-13-7-9-14(10-8-13)12-20-19(23)16-11-18(22)21(2)17-6-4-3-5-15(16)17/h3-11H,12H2,1-2H3,(H,20,23)
InChIKeyPOKKCHHDOBDHJY-UHFFFAOYSA-N
XLogP2.78
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694467
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55756401
N-[(2-methoxyphenyl)methyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694477
N-(2,4-dimethylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694516
1-methyl-2-oxo-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]quinoline-4-carboxamide
CID 122558905
1-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-oxoquinoline-4-carboxamide
CID 92625940
N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 121497375
1,2,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrole-3-carboxamide
CID 110691242
1-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoquinoline-4-carboxamide
CID 55787470
(2S)-4-methyl-2-[[2-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695225
1-methyl-2-oxo-N-[(1-phenylcyclopentyl)methyl]quinoline-4-carboxamide
CID 55759441
1-methyl-N-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxamide
CID 97244759

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide?
The IUPAC name of 1-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide (CID 110694470) is 1-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide is Cc1ccc(CNC(=O)c2cc(=O)n(C)c3ccccc23)cc1.
What is the InChIKey of 1-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide?
The InChIKey is POKKCHHDOBDHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13-7-9-14(10-8-13)12-20-19(23)16-11-18(22)21(2)17-6-4-3-5-15(16)17/h3-11H,12H2,1-2H3,(H,20,23).
What are the key properties of 1-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide?
1-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 110694470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).