3-(5,6-dimethylpyrazin-2-yl)-2-methoxyquinoline

• ChemBase ID: 430589
• Molecular Formular: C16H15N3O
• Molecular Mass: 265.3098
• Monoisotopic Mass: 265.12151212
• SMILES: c1(c(nc2c(c1)cccc2)OC)c1nc(c(nc1)C)C
• Canonical SMILES: COc1nc2ccccc2cc1c1cnc(c(n1)C)C
• InChI: InChI=1S/C16H15N3O/c1-10-11(2)18-15(9-17-10)13-8-12-6-4-5-7-14(12)19-16(13)20-3/h4-9H,1-3H3
• InChIKey: LOQZUNPDAFSZJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(5,6-dimethylpyrazin-2-yl)-2-methoxyquinoline
• IUPAC Traditional name: 3-(5,6-dimethylpyrazin-2-yl)-2-methoxyquinoline
• Synonyms: 3-(5,6-dimethylpyrazin-2-yl)-2-methoxyquinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.4280865
• LogD (pH = 7.4): 2.428157
• Log P: 2.4281578
• Molar Refractivity: 76.3894 cm^3
• Polarizability: 32.241863 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: 2.72
• LOG S: -3.46
• Polar Surface Area: 47.9 Å^2
• Rotatable Bonds: 2