2-(4-ethylpiperazin-1-yl)-6-[(4-propan-2-ylphenyl)sulfonylamino]quinoline-4-carboxylic acid

C25H30N4O4S — CID 50772996

IUPAC2-(4-ethylpiperazin-1-yl)-6-[(4-propan-2-ylphenyl)sulfonylamino]quinoline-4-carboxylic acid
SMILESCCN1CCN(c2cc(C(=O)O)c3cc(NS(=O)(=O)c4ccc(C(C)C)cc4)ccc3n2)CC1
InChIInChI=1S/C25H30N4O4S/c1-4-28-11-13-29(14-12-28)24-16-22(25(30)31)21-15-19(7-10-23(21)26-24)27-34(32,33)20-8-5-18(6-9-20)17(2)3/h5-10,15-17,27H,4,11-14H2,1-3H3,(H,30,31)
InChIKeyKUFWIYDEEAGNKP-UHFFFAOYSA-N
MW482.61 g/mol
LogP4.00
Rot. Bonds7

About 2-(4-ethylpiperazin-1-yl)-6-[(4-propan-2-ylphenyl)sulfonylamino]quinoline-4-carboxylic acid

2-(4-ethylpiperazin-1-yl)-6-[(4-propan-2-ylphenyl)sulfonylamino]quinoline-4-carboxylic acid (PubChem CID 50772996) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-6-[(4-propan-2-ylphenyl)sulfonylamino]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-6-[(4-propan-2-ylphenyl)sulfonylamino]quinoline-4-carboxylic acid
PubChem CID50772996
Molecular FormulaC25H30N4O4S
Molecular Weight482.61 g/mol
Exact Mass482.20
IUPAC Name2-(4-ethylpiperazin-1-yl)-6-[(4-propan-2-ylphenyl)sulfonylamino]quinoline-4-carboxylic acid
SMILESCCN1CCN(c2cc(C(=O)O)c3cc(NS(=O)(=O)c4ccc(C(C)C)cc4)ccc3n2)CC1
InChIInChI=1S/C25H30N4O4S/c1-4-28-11-13-29(14-12-28)24-16-22(25(30)31)21-15-19(7-10-23(21)26-24)27-34(32,33)20-8-5-18(6-9-20)17(2)3/h5-10,15-17,27H,4,11-14H2,1-3H3,(H,30,31)
InChIKeyKUFWIYDEEAGNKP-UHFFFAOYSA-N
XLogP4.00
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(4-ethylpiperazin-1-yl)-6-[(4-propan-2-ylphenyl)sulfonylamino]quinoline-4-carboxylic acid with MolForge

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Related Compounds

6-(benzenesulfonamido)-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 50773023
2-(4-phenylpiperazin-1-yl)-6-[(4-propan-2-ylphenyl)sulfonylamino]quinoline-4-carboxylic acid;trihydrochloride
CID 146057000
6-[(2-chlorophenyl)sulfonylamino]-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 50773038
2-[4-(2-cyanoethyl)piperazin-1-yl]-6-[[4-(2-methylpropyl)phenyl]sulfonylamino]quinoline-4-carboxylic acid
CID 46298227
6-[(3,4-difluorophenyl)sulfonylamino]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]quinoline-4-carboxylic acid
CID 50773039
6-[(3,4-dimethoxyphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
CID 146056959
6-[(4-ethylphenyl)sulfonylamino]-2-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-4-carboxylic acid;trihydrochloride
CID 146057021
6-[(3-methylphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
CID 146057120
6-[(4-ethoxyphenyl)sulfonylamino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
CID 146057080
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
5-[(4-propan-2-ylphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)benzoic acid
CID 50766170

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-6-[(4-propan-2-ylphenyl)sulfonylamino]quinoline-4-carboxylic acid?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-6-[(4-propan-2-ylphenyl)sulfonylamino]quinoline-4-carboxylic acid (CID 50772996) is 2-(4-ethylpiperazin-1-yl)-6-[(4-propan-2-ylphenyl)sulfonylamino]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-6-[(4-propan-2-ylphenyl)sulfonylamino]quinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-6-[(4-propan-2-ylphenyl)sulfonylamino]quinoline-4-carboxylic acid is CCN1CCN(c2cc(C(=O)O)c3cc(NS(=O)(=O)c4ccc(C(C)C)cc4)ccc3n2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-6-[(4-propan-2-ylphenyl)sulfonylamino]quinoline-4-carboxylic acid?
The InChIKey is KUFWIYDEEAGNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4S/c1-4-28-11-13-29(14-12-28)24-16-22(25(30)31)21-15-19(7-10-23(21)26-24)27-34(32,33)20-8-5-18(6-9-20)17(2)3/h5-10,15-17,27H,4,11-14H2,1-3H3,(H,30,31).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-6-[(4-propan-2-ylphenyl)sulfonylamino]quinoline-4-carboxylic acid?
2-(4-ethylpiperazin-1-yl)-6-[(4-propan-2-ylphenyl)sulfonylamino]quinoline-4-carboxylic acid has a molecular weight of 482.61 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-6-[(4-propan-2-ylphenyl)sulfonylamino]quinoline-4-carboxylic acid is sourced from PubChem (CID 50772996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).