4-(7-hydroxy-6-methoxy-2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)-N-methylbenzene-1-sulfonamide

• ChemBase ID: 706470
• Molecular Formular: C17H18N2O5S
• Molecular Mass: 362.40022
• Monoisotopic Mass: 362.09364269
• SMILES: S(=O)(=O)(c1ccc(C2c3c(NC(=O)C2)cc(c(c3)OC)O)cc1)NC
• Canonical SMILES: COc1cc2c(cc1O)NC(=O)CC2c1ccc(cc1)S(=O)(=O)NC
• InChI: InChI=1S/C17H18N2O5S/c1-18-25(22,23)11-5-3-10(4-6-11)12-8-17(21)19-14-9-15(20)16(24-2)7-13(12)14/h3-7,9,12,18,20H,8H2,1-2H3,(H,19,21)
• InChIKey: PVTGGQGOMTYKKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(7-hydroxy-6-methoxy-2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)-N-methylbenzene-1-sulfonamide
• IUPAC Traditional name: 4-(7-hydroxy-6-methoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl)-N-methylbenzenesulfonamide
• Synonyms: 4-(7-hydroxy-6-methoxy-2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)-N-methylbenzenesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.510108
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 1.305871
• LogD (pH = 7.4): 1.3026512
• Log P: 1.3059121
• Molar Refractivity: 94.3282 cm^3
• Polarizability: 36.203342 Å^3
• Polar Surface Area: 104.73 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: 0.86
• LOG S: -2.58
• Polar Surface Area: 104.73 Å^2
• Rotatable Bonds: 3