N-cyclopropyl-N-{[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl}oxolane-2-carboxamide

• ChemBase ID: 683880
• Molecular Formular: C27H30N2O4
• Molecular Mass: 446.5381
• Monoisotopic Mass: 446.22055745
• SMILES: c1(nc2c(cc1CN(C(=O)C1OCCC1)C1CC1)cccc2C)c1c(ccc(c1)OC)OC
• Canonical SMILES: COc1ccc(c(c1)c1nc2c(cc1CN(C(=O)C1CCCO1)C1CC1)cccc2C)OC
• InChI: InChI=1S/C27H30N2O4/c1-17-6-4-7-18-14-19(16-29(20-9-10-20)27(30)24-8-5-13-33-24)26(28-25(17)18)22-15-21(31-2)11-12-23(22)32-3/h4,6-7,11-12,14-15,20,24H,5,8-10,13,16H2,1-3H3
• InChIKey: ZHPXLTXTVJWIOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-{[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl}oxolane-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-N-{[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl}oxolane-2-carboxamide
• Synonyms: N-cyclopropyl-N-{[2-(2,5-dimethoxyphenyl)-8-methyl-3-quinolinyl]methyl}tetrahydro-2-furancarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.876657
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.4387927
• LogD (pH = 7.4): 4.439533
• Log P: 4.439543
• Molar Refractivity: 126.4759 cm^3
• Polarizability: 51.73462 Å^3
• Polar Surface Area: 60.89 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.73
• LOG S: -3.85
• Polar Surface Area: 60.89 Å^2
• Rotatable Bonds: 5