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

• ChemBase ID: 716649
• Molecular Formular: C15H14N4O
• Molecular Mass: 266.29786
• Monoisotopic Mass: 266.11676109
• SMILES: c12C(c3cc4c(nc3)cc(cc4)O)NCCc2[nH]cn1
• Canonical SMILES: Oc1ccc2c(c1)ncc(c2)C1NCCc2c1nc[nH]2
• InChI: InChI=1S/C15H14N4O/c20-11-2-1-9-5-10(7-17-13(9)6-11)14-15-12(3-4-16-14)18-8-19-15/h1-2,5-8,14,16,20H,3-4H2,(H,18,19)
• InChIKey: ZXSVIKBHYRFZSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.781516
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.57915145
• LogD (pH = 7.4): 0.74235886
• Log P: 0.8673963
• Molar Refractivity: 75.2962 cm^3
• Polarizability: 30.19812 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: 0.69
• LOG S: -0.14
• Polar Surface Area: 73.83 Å^2
• Rotatable Bonds: 1