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

• ChemBase ID: 573222
• Molecular Formular: C16H16N4O
• Molecular Mass: 280.32444
• Monoisotopic Mass: 280.13241115
• SMILES: c1(C2c3nc[nH]c3CCN2)c(nc2c(c1)ccc(c2)C)O
• Canonical SMILES: Cc1ccc2c(c1)nc(c(c2)C1NCCc2c1nc[nH]2)O
• InChI: InChI=1S/C16H16N4O/c1-9-2-3-10-7-11(16(21)20-13(10)6-9)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: JRMJSKUSBUICPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.608961
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.10874529
• LogD (pH = 7.4): 1.621385
• Log P: 2.1241822
• Molar Refractivity: 80.6509 cm^3
• Polarizability: 31.966297 Å^3
• Polar Surface Area: 73.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 1.38
• LOG S: -1.41
• Polar Surface Area: 73.83 Å^2
• Rotatable Bonds: 1