2-[3-(2-ethylphenoxy)azetidin-1-yl]quinoline

• ChemBase ID: 728715
• Molecular Formular: C20H20N2O
• Molecular Mass: 304.3856
• Monoisotopic Mass: 304.15756327
• SMILES: N1(c2nc3c(cc2)cccc3)CC(C1)Oc1c(CC)cccc1
• Canonical SMILES: CCc1ccccc1OC1CN(C1)c1ccc2c(n1)cccc2
• InChI: InChI=1S/C20H20N2O/c1-2-15-7-4-6-10-19(15)23-17-13-22(14-17)20-12-11-16-8-3-5-9-18(16)21-20/h3-12,17H,2,13-14H2,1H3
• InChIKey: XGEGSBKHTNAVOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.904784
• LogD (pH = 7.4): 5.31469
• Log P: 5.3236837
• Molar Refractivity: 92.617 cm^3
• Polarizability: 36.82519 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.33
• LOG S: -4.26
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 4