8-methoxy-5-(6-methoxypyridazin-3-yl)-2-methylquinoline

• ChemBase ID: 357825
• Molecular Formular: C16H15N3O2
• Molecular Mass: 281.3092
• Monoisotopic Mass: 281.11642674
• SMILES: c12c(nc(cc2)C)c(ccc1c1nnc(cc1)OC)OC
• Canonical SMILES: COc1ccc(nn1)c1ccc(c2c1ccc(n2)C)OC
• InChI: InChI=1S/C16H15N3O2/c1-10-4-5-12-11(6-8-14(20-2)16(12)17-10)13-7-9-15(21-3)19-18-13/h4-9H,1-3H3
• InChIKey: KWGCKJTUPDFPMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-5-(6-methoxypyridazin-3-yl)-2-methylquinoline
• IUPAC Traditional name: 8-methoxy-5-(6-methoxypyridazin-3-yl)-2-methylquinoline
• Synonyms: 8-methoxy-5-(6-methoxypyridazin-3-yl)-2-methylquinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.3748684
• LogD (pH = 7.4): 2.3769917
• Log P: 2.377019
• Molar Refractivity: 80.2813 cm^3
• Polarizability: 32.959007 Å^3
• Polar Surface Area: 57.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.78
• LOG S: -3.62
• Polar Surface Area: 57.13 Å^2
• Rotatable Bonds: 3