3-(benzenesulfonyl)-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide

C24H20N2O6S — CID 54720238

IUPAC3-(benzenesulfonyl)-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc2c(O)c(S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C24H20N2O6S/c1-14-8-11-20(32-2)19(12-14)26-23(28)15-9-10-17-18(13-15)25-24(29)22(21(17)27)33(30,31)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,26,28)(H2,25,27,29)
InChIKeyJWMGIVIKNRKFLA-UHFFFAOYSA-N
MW464.50 g/mol
LogP3.64
Rot. Bonds5

About 3-(benzenesulfonyl)-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide

3-(benzenesulfonyl)-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide (PubChem CID 54720238) has the molecular formula C24H20N2O6S and a molecular weight of 464.50 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide
PubChem CID54720238
Molecular FormulaC24H20N2O6S
Molecular Weight464.50 g/mol
Exact Mass464.10
IUPAC Name3-(benzenesulfonyl)-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc2c(O)c(S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C24H20N2O6S/c1-14-8-11-20(32-2)19(12-14)26-23(28)15-9-10-17-18(13-15)25-24(29)22(21(17)27)33(30,31)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,26,28)(H2,25,27,29)
InChIKeyJWMGIVIKNRKFLA-UHFFFAOYSA-N
XLogP3.64
TPSA125.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-(4-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide
CID 54687803
3-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 9098405
4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 2302629
3-[(2-fluorophenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide
CID 2350153
4-hydroxy-3-(4-methylphenyl)sulfonyl-7-(morpholine-4-carbonyl)-1H-quinolin-2-one
CID 54710125
2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 50928632
1-N-benzyl-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109046739
N-[2-methoxy-5-(methylsulfamoyl)phenyl]-4-methylbenzamide
CID 6459882
4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(2-methoxy-5-methylphenyl)benzamide
CID 46277792
1-N-(2,4-dimethylphenyl)-3-N-(2-methoxy-5-methylphenyl)benzene-1,3-dicarboxamide
CID 109057155
N-(2-methoxy-5-methylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2684884
N-(2,5-dimethylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 8712515

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide?
The IUPAC name of 3-(benzenesulfonyl)-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide (CID 54720238) is 3-(benzenesulfonyl)-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide.
What is the SMILES notation for 3-(benzenesulfonyl)-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide?
The canonical SMILES for 3-(benzenesulfonyl)-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide is COc1ccc(C)cc1NC(=O)c1ccc2c(O)c(S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1.
What is the InChIKey of 3-(benzenesulfonyl)-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide?
The InChIKey is JWMGIVIKNRKFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O6S/c1-14-8-11-20(32-2)19(12-14)26-23(28)15-9-10-17-18(13-15)25-24(29)22(21(17)27)33(30,31)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,26,28)(H2,25,27,29).
What are the key properties of 3-(benzenesulfonyl)-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide?
3-(benzenesulfonyl)-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide has a molecular weight of 464.50 g/mol, XLogP of 3.64, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide is sourced from PubChem (CID 54720238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).