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

• ChemBase ID: 580247
• Molecular Formular: C15H14N4
• Molecular Mass: 250.29846
• Monoisotopic Mass: 250.12184647
• SMILES: c1(nc2c([nH]1)CCNC2)c1cc2c(nc1)cccc2
• Canonical SMILES: C1NCc2c(C1)[nH]c(n2)c1cnc2c(c1)cccc2
• InChI: InChI=1S/C15H14N4/c1-2-4-12-10(3-1)7-11(8-17-12)15-18-13-5-6-16-9-14(13)19-15/h1-4,7-8,16H,5-6,9H2,(H,18,19)
• InChIKey: LNWFMWGRLCGLNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.008478
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.1532547
• LogD (pH = 7.4): 0.57796574
• Log P: 1.4082096
• Molar Refractivity: 84.059 cm^3
• Polarizability: 30.342613 Å^3
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.35
• LOG S: -1.17
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 1