2-methyl-N-(quinolin-6-ylmethyl)benzamide

C18H16N2O — CID 110472091

IUPAC2-methyl-N-(quinolin-6-ylmethyl)benzamide
SMILESCc1ccccc1C(=O)NCc1ccc2ncccc2c1
InChIInChI=1S/C18H16N2O/c1-13-5-2-3-7-16(13)18(21)20-12-14-8-9-17-15(11-14)6-4-10-19-17/h2-11H,12H2,1H3,(H,20,21)
InChIKeyOHECVZJBHHBUTH-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.47
Rot. Bonds3

About 2-methyl-N-(quinolin-6-ylmethyl)benzamide

2-methyl-N-(quinolin-6-ylmethyl)benzamide (PubChem CID 110472091) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-methyl-N-(quinolin-6-ylmethyl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(quinolin-6-ylmethyl)benzamide
PubChem CID110472091
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2-methyl-N-(quinolin-6-ylmethyl)benzamide
SMILESCc1ccccc1C(=O)NCc1ccc2ncccc2c1
InChIInChI=1S/C18H16N2O/c1-13-5-2-3-7-16(13)18(21)20-12-14-8-9-17-15(11-14)6-4-10-19-17/h2-11H,12H2,1H3,(H,20,21)
InChIKeyOHECVZJBHHBUTH-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

Analyze 2-methyl-N-(quinolin-6-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzamide
CID 110785096
2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide
CID 110470774
2-(quinolin-6-ylmethylamino)benzoic acid
CID 63969915
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylbenzamide
CID 110785957
4-chloro-1-methyl-N-(quinolin-6-ylmethyl)pyrrole-2-carboxamide
CID 154796695
N-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-6-ylmethanamine
CID 63306756
N-[(4-aminophenyl)methyl]-2-methylbenzamide
CID 60892796
N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192191
N-[[3-(bromomethyl)phenyl]methyl]-2-methylbenzamide
CID 114312955
2-(hydroxymethyl)-2-(quinolin-6-ylmethylamino)propane-1,3-diol
CID 107850850
N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
CID 23653724
N-[(2,2-dimethyl-1,3-benzodioxol-5-yl)methyl]quinoline-6-carboxamide
CID 143817195

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(quinolin-6-ylmethyl)benzamide?
The IUPAC name of 2-methyl-N-(quinolin-6-ylmethyl)benzamide (CID 110472091) is 2-methyl-N-(quinolin-6-ylmethyl)benzamide.
What is the SMILES notation for 2-methyl-N-(quinolin-6-ylmethyl)benzamide?
The canonical SMILES for 2-methyl-N-(quinolin-6-ylmethyl)benzamide is Cc1ccccc1C(=O)NCc1ccc2ncccc2c1.
What is the InChIKey of 2-methyl-N-(quinolin-6-ylmethyl)benzamide?
The InChIKey is OHECVZJBHHBUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-13-5-2-3-7-16(13)18(21)20-12-14-8-9-17-15(11-14)6-4-10-19-17/h2-11H,12H2,1H3,(H,20,21).
What are the key properties of 2-methyl-N-(quinolin-6-ylmethyl)benzamide?
2-methyl-N-(quinolin-6-ylmethyl)benzamide 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 2-methyl-N-(quinolin-6-ylmethyl)benzamide is sourced from PubChem (CID 110472091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).