7-methyl-8-{[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methoxy}quinoline

• ChemBase ID: 501527
• Molecular Formular: C21H19N3O2
• Molecular Mass: 345.39446
• Monoisotopic Mass: 345.14772686
• SMILES: n1c(onc1CCc1ccccc1)COc1c2ncccc2ccc1C
• Canonical SMILES: Cc1ccc2c(c1OCc1onc(n1)CCc1ccccc1)nccc2
• InChI: InChI=1S/C21H19N3O2/c1-15-9-11-17-8-5-13-22-20(17)21(15)25-14-19-23-18(24-26-19)12-10-16-6-3-2-4-7-16/h2-9,11,13H,10,12,14H2,1H3
• InChIKey: QGJRGFAMQLNFAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-8-{[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methoxy}quinoline
• IUPAC Traditional name: 7-methyl-8-{[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methoxy}quinoline
• Synonyms: 7-methyl-8-{[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methoxy}quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.8790507
• LogD (pH = 7.4): 4.882119
• Log P: 4.8821583
• Molar Refractivity: 99.9867 cm^3
• Polarizability: 39.059074 Å^3
• Polar Surface Area: 61.04 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.75
• LOG S: -4.92
• Polar Surface Area: 61.04 Å^2
• Rotatable Bonds: 6