6-[(3-methylphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride

C24H31Cl3N4O4S — CID 146057120

IUPAC6-[(3-methylphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
SMILESCCCN1CCN(c2cc(C(=O)O)c3cc(NS(=O)(=O)c4cccc(C)c4)ccc3n2)CC1.Cl.Cl.Cl
InChIInChI=1S/C24H28N4O4S.3ClH/c1-3-9-27-10-12-28(13-11-27)23-16-21(24(29)30)20-15-18(7-8-22(20)25-23)26-33(31,32)19-6-4-5-17(2)14-19;;;/h4-8,14-16,26H,3,9-13H2,1-2H3,(H,29,30);3*1H
InChIKeyGFLPKYCVWWBIJT-UHFFFAOYSA-N
MW577.96 g/mol
LogP4.84
Rot. Bonds7

About 6-[(3-methylphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride

6-[(3-methylphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride (PubChem CID 146057120) has the molecular formula C24H31Cl3N4O4S and a molecular weight of 577.96 g/mol. Its IUPAC name is 6-[(3-methylphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride.

Molecular Properties

Compound Name6-[(3-methylphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
PubChem CID146057120
Molecular FormulaC24H31Cl3N4O4S
Molecular Weight577.96 g/mol
Exact Mass576.11
IUPAC Name6-[(3-methylphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
SMILESCCCN1CCN(c2cc(C(=O)O)c3cc(NS(=O)(=O)c4cccc(C)c4)ccc3n2)CC1.Cl.Cl.Cl
InChIInChI=1S/C24H28N4O4S.3ClH/c1-3-9-27-10-12-28(13-11-27)23-16-21(24(29)30)20-15-18(7-8-22(20)25-23)26-33(31,32)19-6-4-5-17(2)14-19;;;/h4-8,14-16,26H,3,9-13H2,1-2H3,(H,29,30);3*1H
InChIKeyGFLPKYCVWWBIJT-UHFFFAOYSA-N
XLogP4.84
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.96
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[(3-methylphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride with MolForge

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Related Compounds

2-(4-propylpiperazin-1-yl)-6-[(2,4,6-trimethylphenyl)sulfonylamino]quinoline-4-carboxylic acid;trihydrochloride
CID 146056879
6-[(3,4-dimethoxyphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
CID 146056959
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-[(3-methylphenyl)sulfonylamino]quinoline-4-carboxylic acid;trihydrochloride
CID 146057125
6-(benzenesulfonamido)-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 50773023
6-[(3-methylbenzoyl)amino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
CID 146058152
6-(dimethylsulfamoylamino)-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 46298135
6-[(3,5-dimethylphenyl)sulfonylamino]-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]quinoline-4-carboxylic acid
CID 50772313
6-[(3-fluorophenyl)sulfonylamino]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]quinoline-4-carboxylic acid
CID 50773030
3-methyl-N-[4-(4-propylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 112502665
2-(4-ethylpiperazin-1-yl)-6-[(4-propan-2-ylphenyl)sulfonylamino]quinoline-4-carboxylic acid
CID 50772996
6-[(2,4-dimethylphenyl)sulfonylamino]-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
CID 146056968
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-[(3-fluorophenyl)sulfonylamino]quinoline-4-carboxylic acid
CID 46298244

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methylphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride?
The IUPAC name of 6-[(3-methylphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride (CID 146057120) is 6-[(3-methylphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride.
What is the SMILES notation for 6-[(3-methylphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride?
The canonical SMILES for 6-[(3-methylphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride is CCCN1CCN(c2cc(C(=O)O)c3cc(NS(=O)(=O)c4cccc(C)c4)ccc3n2)CC1.Cl.Cl.Cl.
What is the InChIKey of 6-[(3-methylphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride?
The InChIKey is GFLPKYCVWWBIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S.3ClH/c1-3-9-27-10-12-28(13-11-27)23-16-21(24(29)30)20-15-18(7-8-22(20)25-23)26-33(31,32)19-6-4-5-17(2)14-19;;;/h4-8,14-16,26H,3,9-13H2,1-2H3,(H,29,30);3*1H.
What are the key properties of 6-[(3-methylphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride?
6-[(3-methylphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride has a molecular weight of 577.96 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methylphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride is sourced from PubChem (CID 146057120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).