N-{[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl}-3-fluoro-N-[(4-methoxyphenyl)methyl]benzamide

• ChemBase ID: 862868
• Molecular Formular: C29H30FN3O4
• Molecular Mass: 503.5646032
• Monoisotopic Mass: 503.22203468
• SMILES: c1(c(nc2c(c1)c(ccc2OC)OC)N(C)C)CN(C(=O)c1cc(F)ccc1)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)c1cccc(c1)F)Cc1cc2c(OC)ccc(c2nc1N(C)C)OC
• InChI: InChI=1S/C29H30FN3O4/c1-32(2)28-21(16-24-25(36-4)13-14-26(37-5)27(24)31-28)18-33(17-19-9-11-23(35-3)12-10-19)29(34)20-7-6-8-22(30)15-20/h6-16H,17-18H2,1-5H3
• InChIKey: BNHRXDKMIQVWOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl}-3-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
• IUPAC Traditional name: N-{[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl}-3-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
• Synonyms: N-{[2-(dimethylamino)-5,8-dimethoxy-3-quinolinyl]methyl}-3-fluoro-N-(4-methoxybenzyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 5.2223406
• LogD (pH = 7.4): 5.2496686
• Log P: 5.2500286
• Molar Refractivity: 142.4244 cm^3
• Polarizability: 54.6622 Å^3
• Polar Surface Area: 64.13 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 5.65
• LOG S: -5.47
• Polar Surface Area: 64.13 Å^2
• Rotatable Bonds: 5