2-(6-methoxypyridazin-3-yl)quinoline

• ChemBase ID: 797286
• Molecular Formular: C14H11N3O
• Molecular Mass: 237.25664
• Monoisotopic Mass: 237.09021199
• SMILES: c1cc2c(cc1)ccc(n2)c1nnc(cc1)OC
• Canonical SMILES: COc1ccc(nn1)c1ccc2c(n1)cccc2
• InChI: InChI=1S/C14H11N3O/c1-18-14-9-8-13(16-17-14)12-7-6-10-4-2-3-5-11(10)15-12/h2-9H,1H3
• InChIKey: QJVMURXGHCOGEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-methoxypyridazin-3-yl)quinoline
• IUPAC Traditional name: 2-(6-methoxypyridazin-3-yl)quinoline
• Synonyms: 2-(6-Methoxypyridazin-3-yl)quinoline

Database IDs

• CAS Number: 946155-88-0

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.7890136
• LogD (pH = 7.4): 2.7891684
• Log P: 2.7891703
• Molar Refractivity: 68.8546 cm^3
• Polarizability: 28.723059 Å^3
• Polar Surface Area: 47.9 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%