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

• ChemBase ID: 346035
• Molecular Formular: C15H16FN3O4
• Molecular Mass: 321.3036432
• Monoisotopic Mass: 321.11248423
• SMILES: C1(=O)N(CCNC(=O)C2c3c(NC(=O)C2)ccc(c3)F)CCO1
• Canonical SMILES: Fc1cc2C(CC(=O)Nc2cc1)C(=O)NCCN1CCOC1=O
• InChI: InChI=1S/C15H16FN3O4/c16-9-1-2-12-10(7-9)11(8-13(20)18-12)14(21)17-3-4-19-5-6-23-15(19)22/h1-2,7,11H,3-6,8H2,(H,17,21)(H,18,20)
• InChIKey: ULYRNDUUFYYIJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.810058
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.007896201
• LogD (pH = 7.4): -0.007896352
• Log P: -0.007896193
• Molar Refractivity: 79.306 cm^3
• Polarizability: 29.598581 Å^3
• Polar Surface Area: 87.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.26
• LOG S: -2.63
• Polar Surface Area: 87.74 Å^2
• Rotatable Bonds: 4