N-{4-[4-(dimethylamino)phenyl]-7-methoxy-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl}methanesulfonamide

• ChemBase ID: 553222
• Molecular Formular: C19H23N3O4S
• Molecular Mass: 389.46862
• Monoisotopic Mass: 389.14092723
• SMILES: S(=O)(=O)(Nc1cc2c(NC(=O)CC2c2ccc(N(C)C)cc2)cc1OC)C
• Canonical SMILES: COc1cc2NC(=O)CC(c2cc1NS(=O)(=O)C)c1ccc(cc1)N(C)C
• InChI: InChI=1S/C19H23N3O4S/c1-22(2)13-7-5-12(6-8-13)14-10-19(23)20-16-11-18(26-3)17(9-15(14)16)21-27(4,24)25/h5-9,11,14,21H,10H2,1-4H3,(H,20,23)
• InChIKey: VSINZPVERZPTHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-[4-(dimethylamino)phenyl]-7-methoxy-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl}methanesulfonamide
• IUPAC Traditional name: N-{4-[4-(dimethylamino)phenyl]-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl}methanesulfonamide
• Synonyms: N-{4-[4-(dimethylamino)phenyl]-7-methoxy-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl}methanesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 7.887629
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.164943
• LogD (pH = 7.4): 1.1530739
• Log P: 1.2609537
• Molar Refractivity: 106.4045 cm^3
• Polarizability: 40.420208 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: 1.94
• LOG S: -3.69
• Polar Surface Area: 87.74 Å^2
• Rotatable Bonds: 4