6-(dimethylsulfamoylamino)-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid

C19H27N5O4S — CID 46298135

IUPAC6-(dimethylsulfamoylamino)-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid
SMILESCCCN1CCN(c2cc(C(=O)O)c3cc(NS(=O)(=O)N(C)C)ccc3n2)CC1
InChIInChI=1S/C19H27N5O4S/c1-4-7-23-8-10-24(11-9-23)18-13-16(19(25)26)15-12-14(5-6-17(15)20-18)21-29(27,28)22(2)3/h5-6,12-13,21H,4,7-11H2,1-3H3,(H,25,26)
InChIKeyGVLNUXUTZVQCEW-UHFFFAOYSA-N
MW421.52 g/mol
LogP1.68
Rot. Bonds7

About 6-(dimethylsulfamoylamino)-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid

6-(dimethylsulfamoylamino)-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid (PubChem CID 46298135) has the molecular formula C19H27N5O4S and a molecular weight of 421.52 g/mol. Its IUPAC name is 6-(dimethylsulfamoylamino)-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-(dimethylsulfamoylamino)-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid
PubChem CID46298135
Molecular FormulaC19H27N5O4S
Molecular Weight421.52 g/mol
Exact Mass421.18
IUPAC Name6-(dimethylsulfamoylamino)-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid
SMILESCCCN1CCN(c2cc(C(=O)O)c3cc(NS(=O)(=O)N(C)C)ccc3n2)CC1
InChIInChI=1S/C19H27N5O4S/c1-4-7-23-8-10-24(11-9-23)18-13-16(19(25)26)15-12-14(5-6-17(15)20-18)21-29(27,28)22(2)3/h5-6,12-13,21H,4,7-11H2,1-3H3,(H,25,26)
InChIKeyGVLNUXUTZVQCEW-UHFFFAOYSA-N
XLogP1.68
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-methylphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
CID 146057120
6-[(3,4-dimethoxyphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
CID 146056959
6-(benzenesulfonamido)-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 50773023
6-(methanesulfonamido)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]quinoline-4-carboxylic acid
CID 50773074
6-[(3-methylbenzoyl)amino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
CID 146058152
6-[(2-chlorophenyl)sulfonylamino]-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 50773038
2-(4-ethylpiperazin-1-yl)-6-[(4-propan-2-ylphenyl)sulfonylamino]quinoline-4-carboxylic acid
CID 50772996
6-[(3,5-dimethylphenyl)sulfonylamino]-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]quinoline-4-carboxylic acid
CID 50772313
6-acetamido-2-[4-(2-cyanoethyl)piperazin-1-yl]quinoline-4-carboxylic acid
CID 46327001
6-[(4-ethoxyphenyl)sulfonylamino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
CID 146057080
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-(dimethylsulfamoylamino)-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid?
The IUPAC name of 6-(dimethylsulfamoylamino)-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid (CID 46298135) is 6-(dimethylsulfamoylamino)-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-(dimethylsulfamoylamino)-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-(dimethylsulfamoylamino)-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid is CCCN1CCN(c2cc(C(=O)O)c3cc(NS(=O)(=O)N(C)C)ccc3n2)CC1.
What is the InChIKey of 6-(dimethylsulfamoylamino)-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid?
The InChIKey is GVLNUXUTZVQCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O4S/c1-4-7-23-8-10-24(11-9-23)18-13-16(19(25)26)15-12-14(5-6-17(15)20-18)21-29(27,28)22(2)3/h5-6,12-13,21H,4,7-11H2,1-3H3,(H,25,26).
What are the key properties of 6-(dimethylsulfamoylamino)-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid?
6-(dimethylsulfamoylamino)-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid has a molecular weight of 421.52 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylsulfamoylamino)-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 46298135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).