3-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}-7-methoxyquinolin-2-ol

• ChemBase ID: 584278
• Molecular Formular: C16H16N4O2
• Molecular Mass: 296.32384
• Monoisotopic Mass: 296.12732577
• SMILES: c1(C2c3nc[nH]c3CCN2)c(nc2c(c1)ccc(c2)OC)O
• Canonical SMILES: COc1ccc2c(c1)nc(c(c2)C1NCCc2c1nc[nH]2)O
• InChI: InChI=1S/C16H16N4O2/c1-22-10-3-2-9-6-11(16(21)20-13(9)7-10)14-15-12(4-5-17-14)18-8-19-15/h2-3,6-8,14,17H,4-5H2,1H3,(H,18,19)(H,20,21)
• InChIKey: ZUNCJYUYMOFLAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}-7-methoxyquinolin-2-ol
• IUPAC Traditional name: 3-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}-7-methoxyquinolin-2-ol
• Synonyms: 7-methoxy-3-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)quinolin-2-ol

CALCULATED PROPERTIES

JChem

• H Donor: 3
• LogD (pH = 5.5): -0.5623395
• LogD (pH = 7.4): 0.9502938
• Log P: 1.4530897
• Molar Refractivity: 82.0729 cm^3
• Polarizability: 32.70586 Å^3
• Polar Surface Area: 83.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 10.589584
• H Acceptors: 5

供应商提供(Chembridge)

• H Donor: 3
• Log P: 1.19
• LOG S: -1.37
• Polar Surface Area: 83.06 Å^2
• Rotatable Bonds: 2
• H Acceptors: 5