6-fluoro-2-{[3-(2-methoxyphenoxy)azetidin-1-yl]methyl}quinoline

• ChemBase ID: 511611
• Molecular Formular: C20H19FN2O2
• Molecular Mass: 338.3754632
• Monoisotopic Mass: 338.14305608
• SMILES: N1(CC(Oc2c(OC)cccc2)C1)Cc1nc2c(cc(cc2)F)cc1
• Canonical SMILES: COc1ccccc1OC1CN(C1)Cc1ccc2c(n1)ccc(c2)F
• InChI: InChI=1S/C20H19FN2O2/c1-24-19-4-2-3-5-20(19)25-17-12-23(13-17)11-16-8-6-14-10-15(21)7-9-18(14)22-16/h2-10,17H,11-13H2,1H3
• InChIKey: HVPPOQJXPIZQRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-2-{[3-(2-methoxyphenoxy)azetidin-1-yl]methyl}quinoline
• IUPAC Traditional name: 6-fluoro-2-{[3-(2-methoxyphenoxy)azetidin-1-yl]methyl}quinoline
• Synonyms: 6-fluoro-2-{[3-(2-methoxyphenoxy)azetidin-1-yl]methyl}quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.3760808
• LogD (pH = 7.4): 3.6658053
• Log P: 3.6710916
• Molar Refractivity: 92.9328 cm^3
• Polarizability: 37.543503 Å^3
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.87
• LOG S: -3.11
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 5