6,8-dimethoxy-4-methyl-2-[3-(3-methylphenoxy)azetidin-1-yl]quinoline

• ChemBase ID: 601045
• Molecular Formular: C22H24N2O3
• Molecular Mass: 364.43756
• Monoisotopic Mass: 364.17869264
• SMILES: n1c(N2CC(C2)Oc2cc(ccc2)C)cc(c2c1c(cc(c2)OC)OC)C
• Canonical SMILES: COc1cc(OC)cc2c1nc(cc2C)N1CC(C1)Oc1cccc(c1)C
• InChI: InChI=1S/C22H24N2O3/c1-14-6-5-7-16(8-14)27-18-12-24(13-18)21-9-15(2)19-10-17(25-3)11-20(26-4)22(19)23-21/h5-11,18H,12-13H2,1-4H3
• InChIKey: GUHUHJNFHGPVHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,8-dimethoxy-4-methyl-2-[3-(3-methylphenoxy)azetidin-1-yl]quinoline
• IUPAC Traditional name: 6,8-dimethoxy-4-methyl-2-[3-(3-methylphenoxy)azetidin-1-yl]quinoline
• Synonyms: 6,8-dimethoxy-4-methyl-2-[3-(3-methylphenoxy)-1-azetidinyl]quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.9926815
• LogD (pH = 7.4): 5.0760174
• Log P: 5.0771937
• Molar Refractivity: 105.9836 cm^3
• Polarizability: 41.72161 Å^3
• Polar Surface Area: 43.82 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.98
• LOG S: -4.4
• Polar Surface Area: 43.82 Å^2
• Rotatable Bonds: 5