5-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-2-yl}-8-methylquinoline

• ChemBase ID: 741451
• Molecular Formular: C16H16N4
• Molecular Mass: 264.32504
• Monoisotopic Mass: 264.13749653
• SMILES: c1(nc2c([nH]1)CCNC2)c1c2c(nccc2)c(cc1)C
• Canonical SMILES: Cc1ccc(c2c1nccc2)c1nc2c([nH]1)CCNC2
• InChI: InChI=1S/C16H16N4/c1-10-4-5-12(11-3-2-7-18-15(10)11)16-19-13-6-8-17-9-14(13)20-16/h2-5,7,17H,6,8-9H2,1H3,(H,19,20)
• InChIKey: IHMMFTSVYZWWTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-2-yl}-8-methylquinoline
• IUPAC Traditional name: 5-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-2-yl}-8-methylquinoline
• Synonyms: 8-methyl-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)quinoline

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.159434
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.6615609
• LogD (pH = 7.4): 1.0865387
• Log P: 1.921631
• Molar Refractivity: 89.1002 cm^3
• Polarizability: 32.106544 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: 1.39
• LOG S: -1.31
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 1