7-(2-oxo-1,3-oxazolidin-3-yl)-4-(1,3-thiazol-2-yl)-1,2,3,4-tetrahydroquinolin-2-one

• ChemBase ID: 730736
• Molecular Formular: C15H13N3O3S
• Molecular Mass: 315.34702
• Monoisotopic Mass: 315.06776229
• SMILES: N1(C(=O)OCC1)c1cc2NC(=O)CC(c2cc1)c1nccs1
• Canonical SMILES: O=C1Nc2cc(ccc2C(C1)c1nccs1)N1CCOC1=O
• InChI: InChI=1S/C15H13N3O3S/c19-13-8-11(14-16-3-6-22-14)10-2-1-9(7-12(10)17-13)18-4-5-21-15(18)20/h1-3,6-7,11H,4-5,8H2,(H,17,19)
• InChIKey: VHIYVGZJRXEDSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-oxo-1,3-oxazolidin-3-yl)-4-(1,3-thiazol-2-yl)-1,2,3,4-tetrahydroquinolin-2-one
• IUPAC Traditional name: 7-(2-oxo-1,3-oxazolidin-3-yl)-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-quinolin-2-one
• Synonyms: 7-(2-oxo-1,3-oxazolidin-3-yl)-4-(1,3-thiazol-2-yl)-3,4-dihydroquinolin-2(1H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.472428
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2670825
• LogD (pH = 7.4): 1.2673513
• Log P: 1.2673551
• Molar Refractivity: 81.1227 cm^3
• Polarizability: 30.455458 Å^3
• Polar Surface Area: 71.53 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: 0.5
• LOG S: -1.93
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 2