8-methoxy-2-methyl-5-(3-methylpyrazin-2-yl)quinoline

• ChemBase ID: 842456
• Molecular Formular: C16H15N3O
• Molecular Mass: 265.3098
• Monoisotopic Mass: 265.12151212
• SMILES: c1(c2c(nc(cc2)C)c(cc1)OC)c1nccnc1C
• Canonical SMILES: COc1ccc(c2c1nc(C)cc2)c1nccnc1C
• InChI: InChI=1S/C16H15N3O/c1-10-4-5-13-12(15-11(2)17-8-9-18-15)6-7-14(20-3)16(13)19-10/h4-9H,1-3H3
• InChIKey: JAJMWJMBJVFYHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-2-methyl-5-(3-methylpyrazin-2-yl)quinoline
• IUPAC Traditional name: 8-methoxy-2-methyl-5-(3-methylpyrazin-2-yl)quinoline
• Synonyms: 8-methoxy-2-methyl-5-(3-methyl-2-pyrazinyl)quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8315355
• LogD (pH = 7.4): 1.833673
• Log P: 1.8337004
• Molar Refractivity: 76.0759 cm^3
• Polarizability: 32.238064 Å^3
• Polar Surface Area: 47.9 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.71
• LOG S: -3.45
• Polar Surface Area: 47.9 Å^2
• Rotatable Bonds: 2