6,8-dimethyl-4-(pyridin-4-yl)quinoline

• ChemBase ID: 447239
• Molecular Formular: C16H14N2
• Molecular Mass: 234.29576
• Monoisotopic Mass: 234.11569846
• SMILES: c12c(c(cc(c2)C)C)nccc1c1ccncc1
• Canonical SMILES: Cc1cc(C)c2c(c1)c(ccn2)c1ccncc1
• InChI: InChI=1S/C16H14N2/c1-11-9-12(2)16-15(10-11)14(5-8-18-16)13-3-6-17-7-4-13/h3-10H,1-2H3
• InChIKey: XWIWDNDKICYALT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,8-dimethyl-4-(pyridin-4-yl)quinoline
• IUPAC Traditional name: 6,8-dimethyl-4-(pyridin-4-yl)quinoline
• Synonyms: 6,8-dimethyl-4-pyridin-4-ylquinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4503756
• LogD (pH = 7.4): 3.585323
• Log P: 3.5872962
• Molar Refractivity: 73.041 cm^3
• Polarizability: 30.744095 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.53
• LOG S: -3.92
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1