6-(4-methylpiperazin-1-yl)sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid

C15H17N3O5S — CID 3236136

IUPAC6-(4-methylpiperazin-1-yl)sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCN1CCN(S(=O)(=O)c2ccc3[nH]cc(C(=O)O)c(=O)c3c2)CC1
InChIInChI=1S/C15H17N3O5S/c1-17-4-6-18(7-5-17)24(22,23)10-2-3-13-11(8-10)14(19)12(9-16-13)15(20)21/h2-3,8-9H,4-7H2,1H3,(H,16,19)(H,20,21)
InChIKeyGSFUWHFVLBIOAY-UHFFFAOYSA-N
MW351.38 g/mol
LogP0.16
Rot. Bonds3

About 6-(4-methylpiperazin-1-yl)sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid

6-(4-methylpiperazin-1-yl)sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 3236136) has the molecular formula C15H17N3O5S and a molecular weight of 351.38 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID3236136
Molecular FormulaC15H17N3O5S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC Name6-(4-methylpiperazin-1-yl)sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCN1CCN(S(=O)(=O)c2ccc3[nH]cc(C(=O)O)c(=O)c3c2)CC1
InChIInChI=1S/C15H17N3O5S/c1-17-4-6-18(7-5-17)24(22,23)10-2-3-13-11(8-10)14(19)12(9-16-13)15(20)21/h2-3,8-9H,4-7H2,1H3,(H,16,19)(H,20,21)
InChIKeyGSFUWHFVLBIOAY-UHFFFAOYSA-N
XLogP0.16
TPSA110.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 6616543
2-chloro-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid
CID 22012946
2-fluoro-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid
CID 22012947
5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 91110177
6-(4-methylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 15995487
6-[ethyl(phenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid
CID 3513999
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-6-morpholin-4-ylsulfonyl-4-oxo-1H-quinoline-3-carboxamide
CID 124904503
6-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 20895736
6-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide
CID 15999163
6-methoxy-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-quinoline-3-carboxamide
CID 43831697
6-(2,3-dihydroindol-1-ylsulfonyl)-4-oxo-1H-quinoline-3-carboxylate
CID 3519718
6-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 23795791

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 6-(4-methylpiperazin-1-yl)sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid (CID 3236136) is 6-(4-methylpiperazin-1-yl)sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid is CN1CCN(S(=O)(=O)c2ccc3[nH]cc(C(=O)O)c(=O)c3c2)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is GSFUWHFVLBIOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S/c1-17-4-6-18(7-5-17)24(22,23)10-2-3-13-11(8-10)14(19)12(9-16-13)15(20)21/h2-3,8-9H,4-7H2,1H3,(H,16,19)(H,20,21).
What are the key properties of 6-(4-methylpiperazin-1-yl)sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid?
6-(4-methylpiperazin-1-yl)sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 351.38 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 3236136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).