N-[(2-chlorophenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-oxo-1H-quinoline-7-carboxamide

C24H19ClN2O6S — CID 54720180

IUPACN-[(2-chlorophenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-oxo-1H-quinoline-7-carboxamide
SMILESCOc1ccc(S(=O)(=O)c2c(O)c3ccc(C(=O)NCc4ccccc4Cl)cc3[nH]c2=O)cc1
InChIInChI=1S/C24H19ClN2O6S/c1-33-16-7-9-17(10-8-16)34(31,32)22-21(28)18-11-6-14(12-20(18)27-24(22)30)23(29)26-13-15-4-2-3-5-19(15)25/h2-12H,13H2,1H3,(H,26,29)(H2,27,28,30)
InChIKeyIZWNRINLLHBUEW-UHFFFAOYSA-N
MW498.94 g/mol
LogP3.66
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-oxo-1H-quinoline-7-carboxamide

N-[(2-chlorophenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-oxo-1H-quinoline-7-carboxamide (PubChem CID 54720180) has the molecular formula C24H19ClN2O6S and a molecular weight of 498.94 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-oxo-1H-quinoline-7-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-oxo-1H-quinoline-7-carboxamide
PubChem CID54720180
Molecular FormulaC24H19ClN2O6S
Molecular Weight498.94 g/mol
Exact Mass498.07
IUPAC NameN-[(2-chlorophenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-oxo-1H-quinoline-7-carboxamide
SMILESCOc1ccc(S(=O)(=O)c2c(O)c3ccc(C(=O)NCc4ccccc4Cl)cc3[nH]c2=O)cc1
InChIInChI=1S/C24H19ClN2O6S/c1-33-16-7-9-17(10-8-16)34(31,32)22-21(28)18-11-6-14(12-20(18)27-24(22)30)23(29)26-13-15-4-2-3-5-19(15)25/h2-12H,13H2,1H3,(H,26,29)(H2,27,28,30)
InChIKeyIZWNRINLLHBUEW-UHFFFAOYSA-N
XLogP3.66
TPSA125.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.94
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(benzenesulfonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide
CID 54687792
N-[(2-chlorophenyl)methyl]-2-[(Z)-2-hydroxy-2-(4-methoxyphenyl)ethenyl]-3-oxo-4H-quinoxaline-6-carboxamide
CID 135949251
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
N-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 881091
2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 110324907
N-[(2-chlorophenyl)methyl]-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 27534704
N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46857010
N-[(2-chlorophenyl)methyl]-4-methoxy-3-sulfamoylbenzamide
CID 36861804
N-[(2-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 3324304
N-[(2-chlorophenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 53279173
methyl 3-[[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate
CID 27440502
3-(butanoylamino)-N-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylbenzamide
CID 4576996

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-oxo-1H-quinoline-7-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-oxo-1H-quinoline-7-carboxamide (CID 54720180) is N-[(2-chlorophenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-oxo-1H-quinoline-7-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-oxo-1H-quinoline-7-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-oxo-1H-quinoline-7-carboxamide is COc1ccc(S(=O)(=O)c2c(O)c3ccc(C(=O)NCc4ccccc4Cl)cc3[nH]c2=O)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-oxo-1H-quinoline-7-carboxamide?
The InChIKey is IZWNRINLLHBUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O6S/c1-33-16-7-9-17(10-8-16)34(31,32)22-21(28)18-11-6-14(12-20(18)27-24(22)30)23(29)26-13-15-4-2-3-5-19(15)25/h2-12H,13H2,1H3,(H,26,29)(H2,27,28,30).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-oxo-1H-quinoline-7-carboxamide?
N-[(2-chlorophenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-oxo-1H-quinoline-7-carboxamide has a molecular weight of 498.94 g/mol, XLogP of 3.66, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-oxo-1H-quinoline-7-carboxamide is sourced from PubChem (CID 54720180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).