N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide

C18H16N2O2 — CID 110694467

IUPACN-benzyl-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)NCc2ccccc2)c2ccccc21
InChIInChI=1S/C18H16N2O2/c1-20-16-10-6-5-9-14(16)15(11-17(20)21)18(22)19-12-13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,19,22)
InChIKeyFNQKKWBZMJFZJF-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.47
Rot. Bonds3

About N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide

N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide (PubChem CID 110694467) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-methyl-2-oxoquinoline-4-carboxamide
PubChem CID110694467
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC NameN-benzyl-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)NCc2ccccc2)c2ccccc21
InChIInChI=1S/C18H16N2O2/c1-20-16-10-6-5-9-14(16)15(11-17(20)21)18(22)19-12-13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,19,22)
InChIKeyFNQKKWBZMJFZJF-UHFFFAOYSA-N
XLogP2.47
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide
CID 110694470
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
1-methyl-2-oxo-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]quinoline-4-carboxamide
CID 122558905
(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
N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 121497375
1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide
CID 55909182
methyl 4-[[4-(benzylcarbamoyl)-2-oxoquinolin-1-yl]methyl]benzoate
CID 139956924
N-(benzhydrylideneamino)-1-methyl-2-oxoquinoline-4-carboxamide
CID 55753020
N-(3,3-dimethyl-1-phenylbutyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 55765922
N-benzyl-1,2-dimethyl-6-oxopyridine-4-carboxamide
CID 20668750

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide?
The IUPAC name of N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide (CID 110694467) is N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide?
The canonical SMILES for N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide is Cn1c(=O)cc(C(=O)NCc2ccccc2)c2ccccc21.
What is the InChIKey of N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide?
The InChIKey is FNQKKWBZMJFZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-20-16-10-6-5-9-14(16)15(11-17(20)21)18(22)19-12-13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,19,22).
What are the key properties of N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide?
N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 110694467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).