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

C25H25Cl4N5O4S — CID 146057070

IUPAC6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
SMILESCl.Cl.Cl.O=C(O)c1cc(N2CCN(c3ccccn3)CC2)nc2ccc(NS(=O)(=O)c3ccccc3Cl)cc12
InChIInChI=1S/C25H22ClN5O4S.3ClH/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);3*1H
InChIKeyOBUJULGZZBRBQT-UHFFFAOYSA-N
MW633.39 g/mol
LogP5.37
Rot. Bonds6

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

6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride (PubChem CID 146057070) has the molecular formula C25H25Cl4N5O4S and a molecular weight of 633.39 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride.

Molecular Properties

Compound Name6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
PubChem CID146057070
Molecular FormulaC25H25Cl4N5O4S
Molecular Weight633.39 g/mol
Exact Mass631.04
IUPAC Name6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
SMILESCl.Cl.Cl.O=C(O)c1cc(N2CCN(c3ccccn3)CC2)nc2ccc(NS(=O)(=O)c3ccccc3Cl)cc12
InChIInChI=1S/C25H22ClN5O4S.3ClH/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);3*1H
InChIKeyOBUJULGZZBRBQT-UHFFFAOYSA-N
XLogP5.37
TPSA115.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.39
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 46298264
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
2-(4-phenylpiperazin-1-yl)-6-[(4-propan-2-ylphenyl)sulfonylamino]quinoline-4-carboxylic acid;trihydrochloride
CID 146057000
6-(benzenesulfonamido)-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 50773023
6-[(2,4-dimethylphenyl)sulfonylamino]-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
CID 146056968
6-[(3,4-difluorophenyl)sulfonylamino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
CID 146057104
6-(benzenesulfonamido)-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid;trihydrochloride
CID 146056904
6-[(4-ethoxyphenyl)sulfonylamino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
CID 146057080

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride?
The IUPAC name of 6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride (CID 146057070) is 6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride.
What is the SMILES notation for 6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride?
The canonical SMILES for 6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride is Cl.Cl.Cl.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;trihydrochloride?
The InChIKey is OBUJULGZZBRBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O4S.3ClH/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);3*1H.
What are the key properties of 6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride?
6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride has a molecular weight of 633.39 g/mol, XLogP of 5.37, 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;trihydrochloride is sourced from PubChem (CID 146057070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).