3-acetyl-4-hydroxy-6-methyl-2-oxo-N-phenyl-1H-quinoline-7-sulfonamide

C18H16N2O5S — CID 70577340

IUPAC3-acetyl-4-hydroxy-6-methyl-2-oxo-N-phenyl-1H-quinoline-7-sulfonamide
SMILESCC(=O)c1c(O)c2cc(C)c(S(=O)(=O)Nc3ccccc3)cc2[nH]c1=O
InChIInChI=1S/C18H16N2O5S/c1-10-8-13-14(19-18(23)16(11(2)21)17(13)22)9-15(10)26(24,25)20-12-6-4-3-5-7-12/h3-9,20H,1-2H3,(H2,19,22,23)
InChIKeySDQKPHPJZWMSEC-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.55
Rot. Bonds4

About 3-acetyl-4-hydroxy-6-methyl-2-oxo-N-phenyl-1H-quinoline-7-sulfonamide

3-acetyl-4-hydroxy-6-methyl-2-oxo-N-phenyl-1H-quinoline-7-sulfonamide (PubChem CID 70577340) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is 3-acetyl-4-hydroxy-6-methyl-2-oxo-N-phenyl-1H-quinoline-7-sulfonamide.

Molecular Properties

Compound Name3-acetyl-4-hydroxy-6-methyl-2-oxo-N-phenyl-1H-quinoline-7-sulfonamide
PubChem CID70577340
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC Name3-acetyl-4-hydroxy-6-methyl-2-oxo-N-phenyl-1H-quinoline-7-sulfonamide
SMILESCC(=O)c1c(O)c2cc(C)c(S(=O)(=O)Nc3ccccc3)cc2[nH]c1=O
InChIInChI=1S/C18H16N2O5S/c1-10-8-13-14(19-18(23)16(11(2)21)17(13)22)9-15(10)26(24,25)20-12-6-4-3-5-7-12/h3-9,20H,1-2H3,(H2,19,22,23)
InChIKeySDQKPHPJZWMSEC-UHFFFAOYSA-N
XLogP2.55
TPSA116.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(7-methyl-2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]phenyl]acetamide
CID 46276494
7-methyl-N-(4-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 20914020
2,4,5-trimethyl-N-phenylbenzenesulfonamide
CID 35725783
N,4-dimethyl-3-(phenylsulfamoyl)benzamide
CID 3894784
2-methyl-N-phenylbenzenesulfonamide
CID 3017048
N-[4-(2-chlorophenyl)phenyl]-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 172503383
4-methyl-3-(phenylsulfamoyl)-N-propan-2-ylbenzamide
CID 961836
7-methyl-2,3-dioxo-N-[4-(trifluoromethylsulfanyl)phenyl]-1,4-dihydroquinoxaline-6-sulfonamide
CID 167306382
4-methyl-2-oxo-N-phenyl-1H-quinoline-6-sulfonamide
CID 16804856
2-methyl-5-(4-oxo-3H-phthalazin-1-yl)-N-phenylbenzenesulfonamide
CID 1345082
2,3-dioxo-N-[2-(phenylsulfamoyl)phenyl]-1,4-dihydroquinoxaline-6-carboxamide
CID 23474616
4-methyl-3-(phenylsulfamoyl)-N-propylbenzamide
CID 126412719

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-hydroxy-6-methyl-2-oxo-N-phenyl-1H-quinoline-7-sulfonamide?
The IUPAC name of 3-acetyl-4-hydroxy-6-methyl-2-oxo-N-phenyl-1H-quinoline-7-sulfonamide (CID 70577340) is 3-acetyl-4-hydroxy-6-methyl-2-oxo-N-phenyl-1H-quinoline-7-sulfonamide.
What is the SMILES notation for 3-acetyl-4-hydroxy-6-methyl-2-oxo-N-phenyl-1H-quinoline-7-sulfonamide?
The canonical SMILES for 3-acetyl-4-hydroxy-6-methyl-2-oxo-N-phenyl-1H-quinoline-7-sulfonamide is CC(=O)c1c(O)c2cc(C)c(S(=O)(=O)Nc3ccccc3)cc2[nH]c1=O.
What is the InChIKey of 3-acetyl-4-hydroxy-6-methyl-2-oxo-N-phenyl-1H-quinoline-7-sulfonamide?
The InChIKey is SDQKPHPJZWMSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c1-10-8-13-14(19-18(23)16(11(2)21)17(13)22)9-15(10)26(24,25)20-12-6-4-3-5-7-12/h3-9,20H,1-2H3,(H2,19,22,23).
What are the key properties of 3-acetyl-4-hydroxy-6-methyl-2-oxo-N-phenyl-1H-quinoline-7-sulfonamide?
3-acetyl-4-hydroxy-6-methyl-2-oxo-N-phenyl-1H-quinoline-7-sulfonamide has a molecular weight of 372.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-hydroxy-6-methyl-2-oxo-N-phenyl-1H-quinoline-7-sulfonamide is sourced from PubChem (CID 70577340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).