6-(cyclohexylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate

C16H17N2O5S- — CID 5061749

IUPAC6-(cyclohexylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate
SMILESO=C([O-])c1c[nH]c2ccc(S(=O)(=O)NC3CCCCC3)cc2c1=O
InChIInChI=1S/C16H18N2O5S/c19-15-12-8-11(6-7-14(12)17-9-13(15)16(20)21)24(22,23)18-10-4-2-1-3-5-10/h6-10,18H,1-5H2,(H,17,19)(H,20,21)/p-1
InChIKeyCQEOETLPJLABOL-UHFFFAOYSA-M
MW349.39 g/mol
LogP0.50
Rot. Bonds4

About 6-(cyclohexylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate

6-(cyclohexylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 5061749) has the molecular formula C16H17N2O5S- and a molecular weight of 349.39 g/mol. Its IUPAC name is 6-(cyclohexylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Name6-(cyclohexylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate
PubChem CID5061749
Molecular FormulaC16H17N2O5S-
Molecular Weight349.39 g/mol
Exact Mass349.09
IUPAC Name6-(cyclohexylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate
SMILESO=C([O-])c1c[nH]c2ccc(S(=O)(=O)NC3CCCCC3)cc2c1=O
InChIInChI=1S/C16H18N2O5S/c19-15-12-8-11(6-7-14(12)17-9-13(15)16(20)21)24(22,23)18-10-4-2-1-3-5-10/h6-10,18H,1-5H2,(H,17,19)(H,20,21)/p-1
InChIKeyCQEOETLPJLABOL-UHFFFAOYSA-M
XLogP0.50
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-(cycloheptylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
CID 68566527
6-[(3-chloro-2-methylphenyl)sulfamoyl]-N-cyclopentyl-4-oxo-1H-quinoline-3-carboxamide
CID 15990667
N-cycloheptyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8777926
N-cyclopentyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
CID 15994896
N-cyclopentyl-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 134034344
sodium 4-(cyclohexylsulfamoyl)benzoate
CID 122705986
3-(cyclohexylcarbamoyl)-4-oxo-1H-quinoline-6-carboxylic acid
CID 10018505
N-cyclooctyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 39886497
N-cycloheptyl-2-oxo-1H-quinoline-6-sulfonamide
CID 22548526
N-cyclooctyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 20909726
6-(2,3-dihydroindol-1-ylsulfonyl)-4-oxo-1H-quinoline-3-carboxylate
CID 3519718
2-bromo-5-(cyclopropylsulfamoyl)benzoate
CID 7128950

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of 6-(cyclohexylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate (CID 5061749) is 6-(cyclohexylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for 6-(cyclohexylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for 6-(cyclohexylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate is O=C([O-])c1c[nH]c2ccc(S(=O)(=O)NC3CCCCC3)cc2c1=O.
What is the InChIKey of 6-(cyclohexylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is CQEOETLPJLABOL-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H18N2O5S/c19-15-12-8-11(6-7-14(12)17-9-13(15)16(20)21)24(22,23)18-10-4-2-1-3-5-10/h6-10,18H,1-5H2,(H,17,19)(H,20,21)/p-1.
What are the key properties of 6-(cyclohexylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate?
6-(cyclohexylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 349.39 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 5061749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).