2-(dimethylamino)-N-methyl-N-(quinolin-5-ylmethyl)benzamide

• ChemBase ID: 865909
• Molecular Formular: C20H21N3O
• Molecular Mass: 319.40024
• Monoisotopic Mass: 319.16846231
• SMILES: c1(C(=O)N(Cc2c3c(nccc3)ccc2)C)c(N(C)C)cccc1
• Canonical SMILES: CN(C(=O)c1ccccc1N(C)C)Cc1cccc2c1cccn2
• InChI: InChI=1S/C20H21N3O/c1-22(2)19-12-5-4-9-17(19)20(24)23(3)14-15-8-6-11-18-16(15)10-7-13-21-18/h4-13H,14H2,1-3H3
• InChIKey: YITLIWLKTJVRMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-N-methyl-N-(quinolin-5-ylmethyl)benzamide
• IUPAC Traditional name: 2-(dimethylamino)-N-methyl-N-(quinolin-5-ylmethyl)benzamide
• Synonyms: 2-(dimethylamino)-N-methyl-N-(5-quinolinylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.242992
• LogD (pH = 7.4): 3.2611728
• Log P: 3.2614098
• Molar Refractivity: 97.8923 cm^3
• Polarizability: 37.920837 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.0
• LOG S: -3.24
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 4