6-ethyl-4-methyl-2-(pyridin-4-yl)quinoline

• ChemBase ID: 535525
• Molecular Formular: C17H16N2
• Molecular Mass: 248.32234
• Monoisotopic Mass: 248.13134852
• SMILES: n1c(cc(c2c1ccc(c2)CC)C)c1ccncc1
• Canonical SMILES: CCc1ccc2c(c1)c(C)cc(n2)c1ccncc1
• InChI: InChI=1S/C17H16N2/c1-3-13-4-5-16-15(11-13)12(2)10-17(19-16)14-6-8-18-9-7-14/h4-11H,3H2,1-2H3
• InChIKey: LHGHYACPAGTRIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethyl-4-methyl-2-(pyridin-4-yl)quinoline
• IUPAC Traditional name: 6-ethyl-4-methyl-2-(pyridin-4-yl)quinoline
• Synonyms: 6-ethyl-4-methyl-2-pyridin-4-ylquinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.349585
• LogD (pH = 7.4): 4.4168024
• Log P: 4.417715
• Molar Refractivity: 77.27 cm^3
• Polarizability: 32.587776 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.97
• LOG S: -4.4
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 2