N-benzyl-4-methylquinoline-2-carboxamide

C18H16N2O — CID 164678694

IUPACN-benzyl-4-methylquinoline-2-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2)nc2ccccc12
InChIInChI=1S/C18H16N2O/c1-13-11-17(20-16-10-6-5-9-15(13)16)18(21)19-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,19,21)
InChIKeyAXFMBZSAYJKXJD-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.47
Rot. Bonds3

About N-benzyl-4-methylquinoline-2-carboxamide

N-benzyl-4-methylquinoline-2-carboxamide (PubChem CID 164678694) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is N-benzyl-4-methylquinoline-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-methylquinoline-2-carboxamide
PubChem CID164678694
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC NameN-benzyl-4-methylquinoline-2-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2)nc2ccccc12
InChIInChI=1S/C18H16N2O/c1-13-11-17(20-16-10-6-5-9-15(13)16)18(21)19-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,19,21)
InChIKeyAXFMBZSAYJKXJD-UHFFFAOYSA-N
XLogP3.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide
CID 46974547
4-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]quinoline-2-carboxamide
CID 86798695
2-methoxy-1-(4-methylquinolin-2-yl)ethanone
CID 114754716
N-[[3-[(quinoxaline-2-carbonylamino)methyl]phenyl]methyl]quinoxaline-2-carboxamide
CID 112799416
2-(4-bromophenyl)-1-(4-methylquinolin-2-yl)ethanone
CID 114754722
N-benzyl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide
CID 162195780
(2S)-4-methyl-2-[(4-methylquinoline-2-carbonyl)amino]pentanoic acid
CID 154750746
2-N-benzyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097211
(3-ethylphenyl)-(4-methylquinolin-2-yl)methanone
CID 114754714
N-benzyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109368422
1-(4-methylquinolin-2-yl)pent-4-en-1-one
CID 114754704
N-benzyl-4-(benzylamino)-7-chloroquinoline-2-carboxamide
CID 1047229

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methylquinoline-2-carboxamide?
The IUPAC name of N-benzyl-4-methylquinoline-2-carboxamide (CID 164678694) is N-benzyl-4-methylquinoline-2-carboxamide.
What is the SMILES notation for N-benzyl-4-methylquinoline-2-carboxamide?
The canonical SMILES for N-benzyl-4-methylquinoline-2-carboxamide is Cc1cc(C(=O)NCc2ccccc2)nc2ccccc12.
What is the InChIKey of N-benzyl-4-methylquinoline-2-carboxamide?
The InChIKey is AXFMBZSAYJKXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-13-11-17(20-16-10-6-5-9-15(13)16)18(21)19-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,19,21).
What are the key properties of N-benzyl-4-methylquinoline-2-carboxamide?
N-benzyl-4-methylquinoline-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methylquinoline-2-carboxamide is sourced from PubChem (CID 164678694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).