4-(6-methoxy-2-oxo-1,2,3,4-tetrahydroquinoline-4-carbonyl)piperazine-1-sulfonamide

• ChemBase ID: 567118
• Molecular Formular: C15H20N4O5S
• Molecular Mass: 368.4081
• Monoisotopic Mass: 368.11544076
• SMILES: S(=O)(=O)(N1CCN(C(=O)C2c3c(NC(=O)C2)ccc(c3)OC)CC1)N
• Canonical SMILES: COc1ccc2c(c1)C(CC(=O)N2)C(=O)N1CCN(CC1)S(=O)(=O)N
• InChI: InChI=1S/C15H20N4O5S/c1-24-10-2-3-13-11(8-10)12(9-14(20)17-13)15(21)18-4-6-19(7-5-18)25(16,22)23/h2-3,8,12H,4-7,9H2,1H3,(H,17,20)(H2,16,22,23)
• InChIKey: ZALHYZQEEZVNKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(6-methoxy-2-oxo-1,2,3,4-tetrahydroquinoline-4-carbonyl)piperazine-1-sulfonamide
• IUPAC Traditional name: 4-(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperazine-1-sulfonamide
• Synonyms: 4-[(6-methoxy-2-oxo-1,2,3,4-tetrahydro-4-quinolinyl)carbonyl]-1-piperazinesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.417461
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -1.6649005
• LogD (pH = 7.4): -1.664937
• Log P: -1.6649001
• Molar Refractivity: 91.2016 cm^3
• Polarizability: 35.495785 Å^3
• Polar Surface Area: 122.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -1.73
• LOG S: -1.72
• Polar Surface Area: 122.04 Å^2
• Rotatable Bonds: 2