5-(3-methoxypyrazin-2-yl)-8-methylquinoline

• ChemBase ID: 695646
• Molecular Formular: C15H13N3O
• Molecular Mass: 251.28322
• Monoisotopic Mass: 251.10586205
• SMILES: c1(c2c(nccn2)OC)c2c(nccc2)c(cc1)C
• Canonical SMILES: COc1nccnc1c1ccc(c2c1cccn2)C
• InChI: InChI=1S/C15H13N3O/c1-10-5-6-12(11-4-3-7-16-13(10)11)14-15(19-2)18-9-8-17-14/h3-9H,1-2H3
• InChIKey: DDICTDJPBRNWDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(3-methoxypyrazin-2-yl)-8-methylquinoline
• IUPAC Traditional name: 5-(3-methoxypyrazin-2-yl)-8-methylquinoline
• Synonyms: 5-(3-methoxypyrazin-2-yl)-8-methylquinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6560628
• LogD (pH = 7.4): 2.6785438
• Log P: 2.678839
• Molar Refractivity: 72.2476 cm^3
• Polarizability: 30.479445 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: 2.93
• LOG S: -3.54
• Polar Surface Area: 47.9 Å^2
• Rotatable Bonds: 2