N-[4-(5-ethylfuran-2-yl)-7-methoxy-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl]methanesulfonamide

• ChemBase ID: 622431
• Molecular Formular: C17H20N2O5S
• Molecular Mass: 364.4161
• Monoisotopic Mass: 364.10929275
• SMILES: S(=O)(=O)(Nc1cc2c(NC(=O)CC2c2oc(cc2)CC)cc1OC)C
• Canonical SMILES: CCc1ccc(o1)C1CC(=O)Nc2c1cc(NS(=O)(=O)C)c(c2)OC
• InChI: InChI=1S/C17H20N2O5S/c1-4-10-5-6-15(24-10)12-8-17(20)18-13-9-16(23-2)14(7-11(12)13)19-25(3,21)22/h5-7,9,12,19H,4,8H2,1-3H3,(H,18,20)
• InChIKey: VTDLSNNCGASSOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(5-ethylfuran-2-yl)-7-methoxy-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl]methanesulfonamide
• IUPAC Traditional name: N-[4-(5-ethylfuran-2-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]methanesulfonamide
• Synonyms: N-[4-(5-ethyl-2-furyl)-7-methoxy-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl]methanesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 7.881268
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.85569084
• LogD (pH = 7.4): 0.7494323
• Log P: 0.85728645
• Molar Refractivity: 94.1175 cm^3
• Polarizability: 36.123096 Å^3
• Polar Surface Area: 97.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.98
• LOG S: -3.55
• Polar Surface Area: 97.64 Å^2
• Rotatable Bonds: 4