6-(benzenesulfonamido)-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid

C22H24N4O4S — CID 50773023

IUPAC6-(benzenesulfonamido)-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid
SMILESCCN1CCN(c2cc(C(=O)O)c3cc(NS(=O)(=O)c4ccccc4)ccc3n2)CC1
InChIInChI=1S/C22H24N4O4S/c1-2-25-10-12-26(13-11-25)21-15-19(22(27)28)18-14-16(8-9-20(18)23-21)24-31(29,30)17-6-4-3-5-7-17/h3-9,14-15,24H,2,10-13H2,1H3,(H,27,28)
InChIKeyKWMAIALVIOSQKB-UHFFFAOYSA-N
MW440.53 g/mol
LogP2.88
Rot. Bonds6

About 6-(benzenesulfonamido)-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid

6-(benzenesulfonamido)-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid (PubChem CID 50773023) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is 6-(benzenesulfonamido)-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-(benzenesulfonamido)-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid
PubChem CID50773023
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC Name6-(benzenesulfonamido)-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid
SMILESCCN1CCN(c2cc(C(=O)O)c3cc(NS(=O)(=O)c4ccccc4)ccc3n2)CC1
InChIInChI=1S/C22H24N4O4S/c1-2-25-10-12-26(13-11-25)21-15-19(22(27)28)18-14-16(8-9-20(18)23-21)24-31(29,30)17-6-4-3-5-7-17/h3-9,14-15,24H,2,10-13H2,1H3,(H,27,28)
InChIKeyKWMAIALVIOSQKB-UHFFFAOYSA-N
XLogP2.88
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(benzenesulfonamido)-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-ethylpiperazin-1-yl)-6-[(4-propan-2-ylphenyl)sulfonylamino]quinoline-4-carboxylic acid
CID 50772996
6-[(2-chlorophenyl)sulfonylamino]-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 50773038
6-[(3-methylphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
CID 146057120
6-(benzenesulfonamido)-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid;trihydrochloride
CID 146056904
6-[(4-ethoxyphenyl)sulfonylamino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
CID 146057080
6-[(4-ethoxyphenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 46298271
2-(4-phenylpiperazin-1-yl)-6-[(4-propan-2-ylphenyl)sulfonylamino]quinoline-4-carboxylic acid;trihydrochloride
CID 146057000
6-[(3-fluorophenyl)sulfonylamino]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]quinoline-4-carboxylic acid
CID 50773030
6-[(4-ethylphenyl)sulfonylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid
CID 46298233
6-[(3,4-dimethoxyphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
CID 146056959
6-[(3,5-dimethylphenyl)sulfonylamino]-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]quinoline-4-carboxylic acid
CID 50772313
6-[(4-ethylphenyl)sulfonylamino]-2-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-4-carboxylic acid;trihydrochloride
CID 146057021

Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonamido)-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid?
The IUPAC name of 6-(benzenesulfonamido)-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid (CID 50773023) is 6-(benzenesulfonamido)-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-(benzenesulfonamido)-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-(benzenesulfonamido)-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid is CCN1CCN(c2cc(C(=O)O)c3cc(NS(=O)(=O)c4ccccc4)ccc3n2)CC1.
What is the InChIKey of 6-(benzenesulfonamido)-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid?
The InChIKey is KWMAIALVIOSQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-2-25-10-12-26(13-11-25)21-15-19(22(27)28)18-14-16(8-9-20(18)23-21)24-31(29,30)17-6-4-3-5-7-17/h3-9,14-15,24H,2,10-13H2,1H3,(H,27,28).
What are the key properties of 6-(benzenesulfonamido)-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid?
6-(benzenesulfonamido)-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid has a molecular weight of 440.53 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonamido)-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 50773023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).