N-[(8-methoxyquinolin-5-yl)methyl]-N,3,4,7-tetramethyl-1H-indole-2-carboxamide

• ChemBase ID: 404552
• Molecular Formular: C24H25N3O2
• Molecular Mass: 387.4742
• Monoisotopic Mass: 387.19467706
• SMILES: c1(c(c2c([nH]1)c(ccc2C)C)C)C(=O)N(Cc1c2c(nccc2)c(cc1)OC)C
• Canonical SMILES: COc1ccc(c2c1nccc2)CN(C(=O)c1[nH]c2c(c1C)c(C)ccc2C)C
• InChI: InChI=1S/C24H25N3O2/c1-14-8-9-15(2)21-20(14)16(3)22(26-21)24(28)27(4)13-17-10-11-19(29-5)23-18(17)7-6-12-25-23/h6-12,26H,13H2,1-5H3
• InChIKey: HBJDNFUXZFDKKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(8-methoxyquinolin-5-yl)methyl]-N,3,4,7-tetramethyl-1H-indole-2-carboxamide
• IUPAC Traditional name: N-[(8-methoxyquinolin-5-yl)methyl]-N,3,4,7-tetramethyl-1H-indole-2-carboxamide
• Synonyms: N-[(8-methoxy-5-quinolinyl)methyl]-N,3,4,7-tetramethyl-1H-indole-2-carboxamide

CALCULATED PROPERTIES

JChem

• LogD (pH = 5.5): 4.5542865
• LogD (pH = 7.4): 4.5547166
• Log P: 4.554722
• Molar Refractivity: 116.0145 cm^3
• Polarizability: 46.140057 Å^3
• Polar Surface Area: 58.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 14.199472
• H Acceptors: 3
• H Donor: 1

供应商提供(Chembridge)

• Log P: 2.77
• LOG S: -5.5
• Polar Surface Area: 58.22 Å^2
• Rotatable Bonds: 4
• H Acceptors: 3
• H Donor: 1