N-{[6,7-dimethoxy-2-(morpholin-4-yl)quinolin-3-yl]methyl}-N-(2-methoxyethyl)-4-phenylbenzamide

• ChemBase ID: 450740
• Molecular Formular: C32H35N3O5
• Molecular Mass: 541.6374
• Monoisotopic Mass: 541.25767124
• SMILES: c1(c(CN(C(=O)c2ccc(cc2)c2ccccc2)CCOC)cc2c(n1)cc(c(c2)OC)OC)N1CCOCC1
• Canonical SMILES: COCCN(C(=O)c1ccc(cc1)c1ccccc1)Cc1cc2cc(OC)c(cc2nc1N1CCOCC1)OC
• InChI: InChI=1S/C32H35N3O5/c1-37-16-13-35(32(36)25-11-9-24(10-12-25)23-7-5-4-6-8-23)22-27-19-26-20-29(38-2)30(39-3)21-28(26)33-31(27)34-14-17-40-18-15-34/h4-12,19-21H,13-18,22H2,1-3H3
• InChIKey: SVBYHWVJYNEUIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[6,7-dimethoxy-2-(morpholin-4-yl)quinolin-3-yl]methyl}-N-(2-methoxyethyl)-4-phenylbenzamide
• IUPAC Traditional name: N-{[6,7-dimethoxy-2-(morpholin-4-yl)quinolin-3-yl]methyl}-N-(2-methoxyethyl)-4-phenylbenzamide
• Synonyms: N-{[6,7-dimethoxy-2-(4-morpholinyl)-3-quinolinyl]methyl}-N-(2-methoxyethyl)-4-biphenylcarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 4.298139
• LogD (pH = 7.4): 4.9042697
• Log P: 4.922274
• Molar Refractivity: 156.3864 cm^3
• Polarizability: 61.88267 Å^3
• Polar Surface Area: 73.36 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 5.73
• LOG S: -5.78
• Polar Surface Area: 73.36 Å^2
• Rotatable Bonds: 7