6-fluoro-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]-1,2,3,4-tetrahydroquinolin-2-one

• ChemBase ID: 601898
• Molecular Formular: C18H20FN3O4
• Molecular Mass: 361.3675032
• Monoisotopic Mass: 361.14378436
• SMILES: C1(C(=O)N2CCC(N3C(=O)OCC3)CC2)c2c(NC(=O)C1)ccc(c2)F
• Canonical SMILES: O=C(C1CC(=O)Nc2c1cc(F)cc2)N1CCC(CC1)N1CCOC1=O
• InChI: InChI=1S/C18H20FN3O4/c19-11-1-2-15-13(9-11)14(10-16(23)20-15)17(24)21-5-3-12(4-6-21)22-7-8-26-18(22)25/h1-2,9,12,14H,3-8,10H2,(H,20,23)
• InChIKey: CCQCWUORLANSDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]-1,2,3,4-tetrahydroquinolin-2-one
• IUPAC Traditional name: 6-fluoro-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
• Synonyms: 6-fluoro-4-{[4-(2-oxo-1,3-oxazolidin-3-yl)-1-piperidinyl]carbonyl}-3,4-dihydro-2(1H)-quinolinone

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.933336
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.22394145
• LogD (pH = 7.4): 0.22394136
• Log P: 0.22394148
• Molar Refractivity: 91.6347 cm^3
• Polarizability: 34.354794 Å^3
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.7
• LOG S: -2.43
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 2