6-methoxy-2-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide

• ChemBase ID: 512183
• Molecular Formular: C16H19N3O5
• Molecular Mass: 333.33916
• Monoisotopic Mass: 333.13247072
• SMILES: C1(=O)N(CCNC(=O)C2c3c(NC(=O)C2)ccc(c3)OC)CCO1
• Canonical SMILES: COc1cc2C(CC(=O)Nc2cc1)C(=O)NCCN1CCOC1=O
• InChI: InChI=1S/C16H19N3O5/c1-23-10-2-3-13-11(8-10)12(9-14(20)18-13)15(21)17-4-5-19-6-7-24-16(19)22/h2-3,8,12H,4-7,9H2,1H3,(H,17,21)(H,18,20)
• InChIKey: RNSQDRCNAOSWNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-2-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
• IUPAC Traditional name: 6-methoxy-2-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide
• Synonyms: 6-methoxy-2-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1,2,3,4-tetrahydro-4-quinolinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.159418
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.3082694
• LogD (pH = 7.4): -0.30826947
• Log P: -0.30826938
• Molar Refractivity: 85.5528 cm^3
• Polarizability: 32.37837 Å^3
• Polar Surface Area: 96.97 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.63
• LOG S: -2.4
• Polar Surface Area: 96.97 Å^2
• Rotatable Bonds: 5