4-[3-(4-fluorophenoxy)azetidine-1-carbonyl]-2,6-dimethylquinoline

• ChemBase ID: 572672
• Molecular Formular: C21H19FN2O2
• Molecular Mass: 350.3861632
• Monoisotopic Mass: 350.14305608
• SMILES: N1(C(=O)c2c3c(nc(c2)C)ccc(c3)C)CC(C1)Oc1ccc(F)cc1
• Canonical SMILES: Fc1ccc(cc1)OC1CN(C1)C(=O)c1cc(C)nc2c1cc(C)cc2
• InChI: InChI=1S/C21H19FN2O2/c1-13-3-8-20-18(9-13)19(10-14(2)23-20)21(25)24-11-17(12-24)26-16-6-4-15(22)5-7-16/h3-10,17H,11-12H2,1-2H3
• InChIKey: VXXJJPCZMPYPKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(4-fluorophenoxy)azetidine-1-carbonyl]-2,6-dimethylquinoline
• IUPAC Traditional name: 4-[3-(4-fluorophenoxy)azetidine-1-carbonyl]-2,6-dimethylquinoline
• Synonyms: 4-{[3-(4-fluorophenoxy)-1-azetidinyl]carbonyl}-2,6-dimethylquinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.7436445
• LogD (pH = 7.4): 3.7486143
• Log P: 3.7486782
• Molar Refractivity: 96.9536 cm^3
• Polarizability: 38.01885 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.86
• LOG S: -4.2
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 3