3-[1-(6-ethyl-2-methylquinoline-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one

• ChemBase ID: 396922
• Molecular Formular: C21H25N3O3
• Molecular Mass: 367.4415
• Monoisotopic Mass: 367.18959168
• SMILES: c1(C(=O)N2CCC(N3C(=O)OCC3)CC2)c2c(nc(c1)C)ccc(c2)CC
• Canonical SMILES: CCc1ccc2c(c1)c(cc(n2)C)C(=O)N1CCC(CC1)N1CCOC1=O
• InChI: InChI=1S/C21H25N3O3/c1-3-15-4-5-19-17(13-15)18(12-14(2)22-19)20(25)23-8-6-16(7-9-23)24-10-11-27-21(24)26/h4-5,12-13,16H,3,6-11H2,1-2H3
• InChIKey: BXCJLNQTJVTRAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-(6-ethyl-2-methylquinoline-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
• IUPAC Traditional name: 3-[1-(6-ethyl-2-methylquinoline-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
• Synonyms: 3-{1-[(6-ethyl-2-methyl-4-quinolinyl)carbonyl]-4-piperidinyl}-1,3-oxazolidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2147245
• LogD (pH = 7.4): 2.2196565
• Log P: 2.21972
• Molar Refractivity: 102.4617 cm^3
• Polarizability: 40.319824 Å^3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.87
• LOG S: -3.48
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 3