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

C25H33Cl3N4O6S — CID 146056959

IUPAC6-[(3,4-dimethoxyphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
SMILESCCCN1CCN(c2cc(C(=O)O)c3cc(NS(=O)(=O)c4ccc(OC)c(OC)c4)ccc3n2)CC1.Cl.Cl.Cl
InChIInChI=1S/C25H30N4O6S.3ClH/c1-4-9-28-10-12-29(13-11-28)24-16-20(25(30)31)19-14-17(5-7-21(19)26-24)27-36(32,33)18-6-8-22(34-2)23(15-18)35-3;;;/h5-8,14-16,27H,4,9-13H2,1-3H3,(H,30,31);3*1H
InChIKeyBGDMYGGUGFIZFH-UHFFFAOYSA-N
MW623.99 g/mol
LogP4.55
Rot. Bonds9

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

6-[(3,4-dimethoxyphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride (PubChem CID 146056959) has the molecular formula C25H33Cl3N4O6S and a molecular weight of 623.99 g/mol. Its IUPAC name is 6-[(3,4-dimethoxyphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride.

Molecular Properties

Compound Name6-[(3,4-dimethoxyphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
PubChem CID146056959
Molecular FormulaC25H33Cl3N4O6S
Molecular Weight623.99 g/mol
Exact Mass622.12
IUPAC Name6-[(3,4-dimethoxyphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
SMILESCCCN1CCN(c2cc(C(=O)O)c3cc(NS(=O)(=O)c4ccc(OC)c(OC)c4)ccc3n2)CC1.Cl.Cl.Cl
InChIInChI=1S/C25H30N4O6S.3ClH/c1-4-9-28-10-12-29(13-11-28)24-16-20(25(30)31)19-14-17(5-7-21(19)26-24)27-36(32,33)18-6-8-22(34-2)23(15-18)35-3;;;/h5-8,14-16,27H,4,9-13H2,1-3H3,(H,30,31);3*1H
InChIKeyBGDMYGGUGFIZFH-UHFFFAOYSA-N
XLogP4.55
TPSA121.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500623.99
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

6-[(3-methylphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
CID 146057120
2-(4-propylpiperazin-1-yl)-6-[(2,4,6-trimethylphenyl)sulfonylamino]quinoline-4-carboxylic acid;trihydrochloride
CID 146056879
6-(dimethylsulfamoylamino)-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 46298135
6-(benzenesulfonamido)-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 50773023
6-(benzenesulfonamido)-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid;trihydrochloride
CID 146056904
6-[(4-ethylphenyl)sulfonylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid
CID 46298233
6-[(3,4-dimethylphenyl)sulfonylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid
CID 46298202
2-(4-ethylpiperazin-1-yl)-6-[(4-propan-2-ylphenyl)sulfonylamino]quinoline-4-carboxylic acid
CID 50772996
6-[(4-ethoxyphenyl)sulfonylamino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
CID 146057080
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-[(4-methoxyphenyl)sulfonylamino]quinoline-4-carboxylic acid;trihydrochloride
CID 146056882
6-[(3,5-dimethylphenyl)sulfonylamino]-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]quinoline-4-carboxylic acid
CID 50772313
2-[4-(2-cyanoethyl)piperazin-1-yl]-6-[[4-(2-methylpropyl)phenyl]sulfonylamino]quinoline-4-carboxylic acid
CID 46298227

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dimethoxyphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride?
The IUPAC name of 6-[(3,4-dimethoxyphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride (CID 146056959) is 6-[(3,4-dimethoxyphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride.
What is the SMILES notation for 6-[(3,4-dimethoxyphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride?
The canonical SMILES for 6-[(3,4-dimethoxyphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride is CCCN1CCN(c2cc(C(=O)O)c3cc(NS(=O)(=O)c4ccc(OC)c(OC)c4)ccc3n2)CC1.Cl.Cl.Cl.
What is the InChIKey of 6-[(3,4-dimethoxyphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride?
The InChIKey is BGDMYGGUGFIZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O6S.3ClH/c1-4-9-28-10-12-29(13-11-28)24-16-20(25(30)31)19-14-17(5-7-21(19)26-24)27-36(32,33)18-6-8-22(34-2)23(15-18)35-3;;;/h5-8,14-16,27H,4,9-13H2,1-3H3,(H,30,31);3*1H.
What are the key properties of 6-[(3,4-dimethoxyphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride?
6-[(3,4-dimethoxyphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride has a molecular weight of 623.99 g/mol, XLogP of 4.55, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-dimethoxyphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride is sourced from PubChem (CID 146056959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).