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

• ChemBase ID: 844330
• Molecular Formular: C17H11ClN4
• Molecular Mass: 306.74904
• Monoisotopic Mass: 306.06722405
• SMILES: c1(n(ccn1)c1cnccc1)c1nc2c(Cl)cccc2cc1
• Canonical SMILES: Clc1cccc2c1nc(cc2)c1nccn1c1cccnc1
• InChI: InChI=1S/C17H11ClN4/c18-14-5-1-3-12-6-7-15(21-16(12)14)17-20-9-10-22(17)13-4-2-8-19-11-13/h1-11H
• InChIKey: QTFMDVQIQJEHET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.527896
• LogD (pH = 7.4): 3.6884415
• Log P: 3.6910577
• Molar Refractivity: 105.3052 cm^3
• Polarizability: 35.345245 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.45
• LOG S: -4.38
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 2