N-{[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl}-4-methoxy-N-(2-methoxyethyl)benzamide

• ChemBase ID: 552530
• Molecular Formular: C24H29N3O4
• Molecular Mass: 423.50476
• Monoisotopic Mass: 423.21580642
• SMILES: c1(c(nc2c(c1)ccc(c2)OC)N(C)C)CN(C(=O)c1ccc(cc1)OC)CCOC
• Canonical SMILES: COCCN(C(=O)c1ccc(cc1)OC)Cc1cc2ccc(cc2nc1N(C)C)OC
• InChI: InChI=1S/C24H29N3O4/c1-26(2)23-19(14-18-8-11-21(31-5)15-22(18)25-23)16-27(12-13-29-3)24(28)17-6-9-20(30-4)10-7-17/h6-11,14-15H,12-13,16H2,1-5H3
• InChIKey: NTOTYODEUAOBHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl}-4-methoxy-N-(2-methoxyethyl)benzamide
• IUPAC Traditional name: N-{[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl}-4-methoxy-N-(2-methoxyethyl)benzamide
• Synonyms: N-{[2-(dimethylamino)-7-methoxy-3-quinolinyl]methyl}-4-methoxy-N-(2-methoxyethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.937861
• LogD (pH = 7.4): 3.4790614
• Log P: 3.4935493
• Molar Refractivity: 122.1757 cm^3
• Polarizability: 47.27108 Å^3
• Polar Surface Area: 64.13 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.47
• LOG S: -3.57
• Polar Surface Area: 64.13 Å^2
• Rotatable Bonds: 5