4-phenyl-8-[2-(pyridin-3-yl)-1H-imidazol-1-yl]quinoline

• ChemBase ID: 658303
• Molecular Formular: C23H16N4
• Molecular Mass: 348.39994
• Monoisotopic Mass: 348.13749653
• SMILES: n1(c(ncc1)c1cnccc1)c1c2c(c(c3ccccc3)ccn2)ccc1
• Canonical SMILES: c1ccc(cc1)c1ccnc2c1cccc2n1ccnc1c1cccnc1
• InChI: InChI=1S/C23H16N4/c1-2-6-17(7-3-1)19-11-13-25-22-20(19)9-4-10-21(22)27-15-14-26-23(27)18-8-5-12-24-16-18/h1-16H
• InChIKey: FQNRRWQEDJVGJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenyl-8-[2-(pyridin-3-yl)-1H-imidazol-1-yl]quinoline
• IUPAC Traditional name: 4-phenyl-8-[2-(pyridin-3-yl)imidazol-1-yl]quinoline
• Synonyms: 4-phenyl-8-(2-pyridin-3-yl-1H-imidazol-1-yl)quinoline

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Rotatable Bonds: 3
• H Acceptors: 3
• H Donor: 0
• Log P: 5.08
• LOG S: -6.08
• Polar Surface Area: 43.6 Å^2

JChem

• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.030855
• LogD (pH = 7.4): 4.342117
• Log P: 4.348388
• Molar Refractivity: 126.0086 cm^3
• Polarizability: 44.644283 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3