2-methoxy-3-(6-methylpyridazin-3-yl)quinoline

• ChemBase ID: 839558
• Molecular Formular: C15H13N3O
• Molecular Mass: 251.28322
• Monoisotopic Mass: 251.10586205
• SMILES: c1(c(nc2c(c1)cccc2)OC)c1nnc(cc1)C
• Canonical SMILES: COc1nc2ccccc2cc1c1ccc(nn1)C
• InChI: InChI=1S/C15H13N3O/c1-10-7-8-14(18-17-10)12-9-11-5-3-4-6-13(11)16-15(12)19-2/h3-9H,1-2H3
• InChIKey: UGJNUPKYWCXUOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-3-(6-methylpyridazin-3-yl)quinoline
• IUPAC Traditional name: 2-methoxy-3-(6-methylpyridazin-3-yl)quinoline
• Synonyms: 2-methoxy-3-(6-methylpyridazin-3-yl)quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5341294
• LogD (pH = 7.4): 2.5346832
• Log P: 2.5346901
• Molar Refractivity: 73.8181 cm^3
• Polarizability: 30.48506 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: 1.57
• LOG S: -2.37
• Polar Surface Area: 47.9 Å^2
• Rotatable Bonds: 2