3-[2-(8-methylquinolin-5-yl)-1H-imidazol-1-yl]pyridin-2-ol

• ChemBase ID: 583146
• Molecular Formular: C18H14N4O
• Molecular Mass: 302.32996
• Monoisotopic Mass: 302.11676109
• SMILES: c1(n(c2c(nccc2)O)ccn1)c1c2c(nccc2)c(cc1)C
• Canonical SMILES: Cc1ccc(c2c1nccc2)c1nccn1c1cccnc1O
• InChI: InChI=1S/C18H14N4O/c1-12-6-7-14(13-4-2-8-19-16(12)13)17-20-10-11-22(17)15-5-3-9-21-18(15)23/h2-11H,1H3,(H,21,23)
• InChIKey: LKDYBUOIUIPKIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(8-methylquinolin-5-yl)-1H-imidazol-1-yl]pyridin-2-ol
• IUPAC Traditional name: 3-[2-(8-methylquinolin-5-yl)imidazol-1-yl]pyridin-2-ol
• Synonyms: 3-[2-(8-methylquinolin-5-yl)-1H-imidazol-1-yl]pyridin-2-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.048405
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.1208565
• LogD (pH = 7.4): 3.4970942
• Log P: 3.5054765
• Molar Refractivity: 108.208 cm^3
• Polarizability: 35.848923 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.89
• LOG S: -3.02
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 2