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

C26H35Cl3N4O4S — CID 146056879

IUPAC2-(4-propylpiperazin-1-yl)-6-[(2,4,6-trimethylphenyl)sulfonylamino]quinoline-4-carboxylic acid;trihydrochloride
SMILESCCCN1CCN(c2cc(C(=O)O)c3cc(NS(=O)(=O)c4c(C)cc(C)cc4C)ccc3n2)CC1.Cl.Cl.Cl
InChIInChI=1S/C26H32N4O4S.3ClH/c1-5-8-29-9-11-30(12-10-29)24-16-22(26(31)32)21-15-20(6-7-23(21)27-24)28-35(33,34)25-18(3)13-17(2)14-19(25)4;;;/h6-7,13-16,28H,5,8-12H2,1-4H3,(H,31,32);3*1H
InChIKeyIGHDQNRGCCJZMV-UHFFFAOYSA-N
MW606.02 g/mol
LogP5.46
Rot. Bonds7

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

2-(4-propylpiperazin-1-yl)-6-[(2,4,6-trimethylphenyl)sulfonylamino]quinoline-4-carboxylic acid;trihydrochloride (PubChem CID 146056879) has the molecular formula C26H35Cl3N4O4S and a molecular weight of 606.02 g/mol. Its IUPAC name is 2-(4-propylpiperazin-1-yl)-6-[(2,4,6-trimethylphenyl)sulfonylamino]quinoline-4-carboxylic acid;trihydrochloride.

Molecular Properties

Compound Name2-(4-propylpiperazin-1-yl)-6-[(2,4,6-trimethylphenyl)sulfonylamino]quinoline-4-carboxylic acid;trihydrochloride
PubChem CID146056879
Molecular FormulaC26H35Cl3N4O4S
Molecular Weight606.02 g/mol
Exact Mass604.14
IUPAC Name2-(4-propylpiperazin-1-yl)-6-[(2,4,6-trimethylphenyl)sulfonylamino]quinoline-4-carboxylic acid;trihydrochloride
SMILESCCCN1CCN(c2cc(C(=O)O)c3cc(NS(=O)(=O)c4c(C)cc(C)cc4C)ccc3n2)CC1.Cl.Cl.Cl
InChIInChI=1S/C26H32N4O4S.3ClH/c1-5-8-29-9-11-30(12-10-29)24-16-22(26(31)32)21-15-20(6-7-23(21)27-24)28-35(33,34)25-18(3)13-17(2)14-19(25)4;;;/h6-7,13-16,28H,5,8-12H2,1-4H3,(H,31,32);3*1H
InChIKeyIGHDQNRGCCJZMV-UHFFFAOYSA-N
XLogP5.46
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.02
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

6-[(3-methylphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
CID 146057120
6-(dimethylsulfamoylamino)-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 46298135
6-[(3,4-dimethoxyphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
CID 146056959
6-[(2,4-dimethylphenyl)sulfonylamino]-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
CID 146056968
6-[(3,5-dimethylphenyl)sulfonylamino]-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]quinoline-4-carboxylic acid
CID 50772313
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
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-[(2,4-dimethylphenyl)sulfonylamino]quinoline-4-carboxylic acid
CID 46298188
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-(methanesulfonamido)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]quinoline-4-carboxylic acid
CID 50773074
6-[(2-chlorophenyl)sulfonylamino]-2-[4-(2-cyanoethyl)piperazin-1-yl]quinoline-4-carboxylic acid;trihydrochloride
CID 146057082

Frequently Asked Questions

What is the IUPAC name of 2-(4-propylpiperazin-1-yl)-6-[(2,4,6-trimethylphenyl)sulfonylamino]quinoline-4-carboxylic acid;trihydrochloride?
The IUPAC name of 2-(4-propylpiperazin-1-yl)-6-[(2,4,6-trimethylphenyl)sulfonylamino]quinoline-4-carboxylic acid;trihydrochloride (CID 146056879) is 2-(4-propylpiperazin-1-yl)-6-[(2,4,6-trimethylphenyl)sulfonylamino]quinoline-4-carboxylic acid;trihydrochloride.
What is the SMILES notation for 2-(4-propylpiperazin-1-yl)-6-[(2,4,6-trimethylphenyl)sulfonylamino]quinoline-4-carboxylic acid;trihydrochloride?
The canonical SMILES for 2-(4-propylpiperazin-1-yl)-6-[(2,4,6-trimethylphenyl)sulfonylamino]quinoline-4-carboxylic acid;trihydrochloride is CCCN1CCN(c2cc(C(=O)O)c3cc(NS(=O)(=O)c4c(C)cc(C)cc4C)ccc3n2)CC1.Cl.Cl.Cl.
What is the InChIKey of 2-(4-propylpiperazin-1-yl)-6-[(2,4,6-trimethylphenyl)sulfonylamino]quinoline-4-carboxylic acid;trihydrochloride?
The InChIKey is IGHDQNRGCCJZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4S.3ClH/c1-5-8-29-9-11-30(12-10-29)24-16-22(26(31)32)21-15-20(6-7-23(21)27-24)28-35(33,34)25-18(3)13-17(2)14-19(25)4;;;/h6-7,13-16,28H,5,8-12H2,1-4H3,(H,31,32);3*1H.
What are the key properties of 2-(4-propylpiperazin-1-yl)-6-[(2,4,6-trimethylphenyl)sulfonylamino]quinoline-4-carboxylic acid;trihydrochloride?
2-(4-propylpiperazin-1-yl)-6-[(2,4,6-trimethylphenyl)sulfonylamino]quinoline-4-carboxylic acid;trihydrochloride has a molecular weight of 606.02 g/mol, XLogP of 5.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylpiperazin-1-yl)-6-[(2,4,6-trimethylphenyl)sulfonylamino]quinoline-4-carboxylic acid;trihydrochloride is sourced from PubChem (CID 146056879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).