N-[4-(1-methyl-1H-indol-2-yl)-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl]methanesulfonamide

• ChemBase ID: 411241
• Molecular Formular: C19H19N3O3S
• Molecular Mass: 369.43746
• Monoisotopic Mass: 369.11471248
• SMILES: c1(n(c2c(c1)cccc2)C)C1c2c(NC(=O)C1)cc(NS(=O)(=O)C)cc2
• Canonical SMILES: O=C1Nc2cc(ccc2C(C1)c1cc2c(n1C)cccc2)NS(=O)(=O)C
• InChI: InChI=1S/C19H19N3O3S/c1-22-17-6-4-3-5-12(17)9-18(22)15-11-19(23)20-16-10-13(7-8-14(15)16)21-26(2,24)25/h3-10,15,21H,11H2,1-2H3,(H,20,23)
• InChIKey: HJIGOAIAYUQTDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(1-methyl-1H-indol-2-yl)-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl]methanesulfonamide
• IUPAC Traditional name: N-[4-(1-methylindol-2-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide
• Synonyms: N-[4-(1-methyl-1H-indol-2-yl)-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl]methanesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.466019
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.4750249
• LogD (pH = 7.4): 1.4717772
• Log P: 1.4750665
• Molar Refractivity: 101.4504 cm^3
• Polarizability: 40.01213 Å^3
• Polar Surface Area: 80.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.12
• LOG S: -3.7
• Polar Surface Area: 80.2 Å^2
• Rotatable Bonds: 2