6-chloro-2-[3-(2-methoxyphenoxy)azetidin-1-yl]quinoline

• ChemBase ID: 331085
• Molecular Formular: C19H17ClN2O2
• Molecular Mass: 340.80348
• Monoisotopic Mass: 340.09785547
• SMILES: N1(c2nc3c(cc(cc3)Cl)cc2)CC(C1)Oc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1OC1CN(C1)c1ccc2c(n1)ccc(c2)Cl
• InChI: InChI=1S/C19H17ClN2O2/c1-23-17-4-2-3-5-18(17)24-15-11-22(12-15)19-9-6-13-10-14(20)7-8-16(13)21-19/h2-10,15H,11-12H2,1H3
• InChIKey: ULEXCQLAZHJWIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2-[3-(2-methoxyphenoxy)azetidin-1-yl]quinoline
• IUPAC Traditional name: 6-chloro-2-[3-(2-methoxyphenoxy)azetidin-1-yl]quinoline
• Synonyms: 6-chloro-2-[3-(2-methoxyphenoxy)-1-azetidinyl]quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.733754
• LogD (pH = 7.4): 4.810985
• Log P: 4.812067
• Molar Refractivity: 94.2428 cm^3
• Polarizability: 37.5237 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: 2.8
• LOG S: -4.08
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 4