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N-[4-(8-hydroxyquinolin-2-yl)-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl]methanesulfonamide
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ChemBase ID:
320105
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Molecular Formular:
C19H17N3O4S
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Molecular Mass:
383.42098
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Monoisotopic Mass:
383.09397704
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SMILES and InChIs
SMILES:
S(=O)(=O)(Nc1cc2NC(=O)CC(c2cc1)c1nc2c(O)cccc2cc1)C
Canonical SMILES:
O=C1Nc2cc(ccc2C(C1)c1ccc2c(n1)c(O)ccc2)NS(=O)(=O)C
InChI:
InChI=1S/C19H17N3O4S/c1-27(25,26)22-12-6-7-13-14(10-18(24)20-16(13)9-12)15-8-5-11-3-2-4-17(23)19(11)21-15/h2-9,14,22-23H,10H2,1H3,(H,20,24)
InChIKey:
PSAHTYCLCNXQPU-UHFFFAOYSA-N
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Cite this record
CBID:320105 http://www.chembase.cn/molecule-320105.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-[4-(8-hydroxyquinolin-2-yl)-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl]methanesulfonamide
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IUPAC Traditional name
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N-[4-(8-hydroxyquinolin-2-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide
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Synonyms
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N-(8-hydroxy-2'-oxo-1',2',3',4'-tetrahydro-2,4'-biquinolin-7'-yl)methanesulfonamide
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
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9.087324
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H Acceptors
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5
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H Donor
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3
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LogD (pH = 5.5)
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1.285524
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LogD (pH = 7.4)
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1.2859471
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Log P
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1.2945536
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Molar Refractivity
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101.017 cm3
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Polarizability
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40.279095 Å3
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Polar Surface Area
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108.39 Å2
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Rotatable Bonds
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2
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Lipinski's Rule of Five
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true
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H Acceptors
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5
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H Donor
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3
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Log P
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1.6
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LOG S
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-2.78
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Polar Surface Area
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108.39 Å2
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Rotatable Bonds
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2
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent