8-methoxy-5-(1-methyl-1H-imidazol-2-yl)quinoline

• ChemBase ID: 649059
• Molecular Formular: C14H13N3O
• Molecular Mass: 239.27252
• Monoisotopic Mass: 239.10586205
• SMILES: c1(c2c3c(nccc3)c(cc2)OC)n(ccn1)C
• Canonical SMILES: COc1ccc(c2c1nccc2)c1nccn1C
• InChI: InChI=1S/C14H13N3O/c1-17-9-8-16-14(17)11-5-6-12(18-2)13-10(11)4-3-7-15-13/h3-9H,1-2H3
• InChIKey: STDJPJRSXUHJNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-5-(1-methyl-1H-imidazol-2-yl)quinoline
• IUPAC Traditional name: 8-methoxy-5-(1-methylimidazol-2-yl)quinoline
• Synonyms: 8-methoxy-5-(1-methyl-1H-imidazol-2-yl)quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5358148
• LogD (pH = 7.4): 2.0841584
• Log P: 2.1032054
• Molar Refractivity: 79.3956 cm^3
• Polarizability: 28.352152 Å^3
• Polar Surface Area: 39.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.37
• LOG S: -2.12
• Polar Surface Area: 39.94 Å^2
• Rotatable Bonds: 2