6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid

C25H22ClN5O4S — CID 46298264

IUPAC6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(N2CCN(c3ccccn3)CC2)nc2ccc(NS(=O)(=O)c3ccccc3Cl)cc12
InChIInChI=1S/C25H22ClN5O4S/c26-20-5-1-2-6-22(20)36(34,35)29-17-8-9-21-18(15-17)19(25(32)33)16-24(28-21)31-13-11-30(12-14-31)23-7-3-4-10-27-23/h1-10,15-16,29H,11-14H2,(H,32,33)
InChIKeyXIEIJMFMFJRLSU-UHFFFAOYSA-N
MW524.00 g/mol
LogP4.11
Rot. Bonds6

About 6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid

6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid (PubChem CID 46298264) has the molecular formula C25H22ClN5O4S and a molecular weight of 524.00 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid
PubChem CID46298264
Molecular FormulaC25H22ClN5O4S
Molecular Weight524.00 g/mol
Exact Mass523.11
IUPAC Name6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(N2CCN(c3ccccn3)CC2)nc2ccc(NS(=O)(=O)c3ccccc3Cl)cc12
InChIInChI=1S/C25H22ClN5O4S/c26-20-5-1-2-6-22(20)36(34,35)29-17-8-9-21-18(15-17)19(25(32)33)16-24(28-21)31-13-11-30(12-14-31)23-7-3-4-10-27-23/h1-10,15-16,29H,11-14H2,(H,32,33)
InChIKeyXIEIJMFMFJRLSU-UHFFFAOYSA-N
XLogP4.11
TPSA115.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.00
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid with MolForge

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Related Compounds

6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
CID 146057070
6-[(2-chlorophenyl)sulfonylamino]-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 50773038
6-[(2-chlorophenyl)sulfonylamino]-2-[4-(2-cyanoethyl)piperazin-1-yl]quinoline-4-carboxylic acid;trihydrochloride
CID 146057082
6-[(4-ethoxyphenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 46298271
6-[(3-chloro-2-methylphenyl)sulfonylamino]-2-[4-[(2R)-4-methylpentan-2-yl]piperazin-1-yl]quinoline-4-carboxylic acid
CID 98298123
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-[(2-methylphenyl)sulfonylamino]quinoline-4-carboxylic acid;trihydrochloride
CID 146057055
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-[(2,4-dimethylphenyl)sulfonylamino]-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
CID 146056968
2-chloro-N-quinolin-6-ylbenzenesulfonamide
CID 25040814
6-[(3,4-difluorophenyl)sulfonylamino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
CID 146057104
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-[(2,4-dimethylphenyl)sulfonylamino]quinoline-4-carboxylic acid
CID 46298188

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid?
The IUPAC name of 6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid (CID 46298264) is 6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid is O=C(O)c1cc(N2CCN(c3ccccn3)CC2)nc2ccc(NS(=O)(=O)c3ccccc3Cl)cc12.
What is the InChIKey of 6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid?
The InChIKey is XIEIJMFMFJRLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O4S/c26-20-5-1-2-6-22(20)36(34,35)29-17-8-9-21-18(15-17)19(25(32)33)16-24(28-21)31-13-11-30(12-14-31)23-7-3-4-10-27-23/h1-10,15-16,29H,11-14H2,(H,32,33).
What are the key properties of 6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid?
6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid has a molecular weight of 524.00 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 46298264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).