7-fluoro-2-[3-(2-methoxyphenoxy)azetidin-1-yl]-4-methylquinoline

• ChemBase ID: 415854
• Molecular Formular: C20H19FN2O2
• Molecular Mass: 338.3754632
• Monoisotopic Mass: 338.14305608
• SMILES: N1(c2nc3c(c(c2)C)ccc(c3)F)CC(C1)Oc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1OC1CN(C1)c1cc(C)c2c(n1)cc(cc2)F
• InChI: InChI=1S/C20H19FN2O2/c1-13-9-20(22-17-10-14(21)7-8-16(13)17)23-11-15(12-23)25-19-6-4-3-5-18(19)24-2/h3-10,15H,11-12H2,1-2H3
• InChIKey: LGYFVYCMRCALCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-fluoro-2-[3-(2-methoxyphenoxy)azetidin-1-yl]-4-methylquinoline
• IUPAC Traditional name: 7-fluoro-2-[3-(2-methoxyphenoxy)azetidin-1-yl]-4-methylquinoline
• Synonyms: 7-fluoro-2-[3-(2-methoxyphenoxy)-1-azetidinyl]-4-methylquinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.2548804
• LogD (pH = 7.4): 4.846956
• Log P: 4.8641458
• Molar Refractivity: 94.6956 cm^3
• Polarizability: 37.07077 Å^3
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.79
• LOG S: -4.05
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 4