5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]quinolin-8-ol

C22H25N3O3S — CID 2486837

IUPAC5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]quinolin-8-ol
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(Cc3ccc(O)c4ncccc34)CC2)c1
InChIInChI=1S/C22H25N3O3S/c1-16-5-6-17(2)21(14-16)29(27,28)25-12-10-24(11-13-25)15-18-7-8-20(26)22-19(18)4-3-9-23-22/h3-9,14,26H,10-13,15H2,1-2H3
InChIKeyOKYRYCAREFYSDD-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.06
Rot. Bonds4

About 5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]quinolin-8-ol

5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]quinolin-8-ol (PubChem CID 2486837) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]quinolin-8-ol
PubChem CID2486837
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]quinolin-8-ol
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(Cc3ccc(O)c4ncccc34)CC2)c1
InChIInChI=1S/C22H25N3O3S/c1-16-5-6-17(2)21(14-16)29(27,28)25-12-10-24(11-13-25)15-18-7-8-20(26)22-19(18)4-3-9-23-22/h3-9,14,26H,10-13,15H2,1-2H3
InChIKeyOKYRYCAREFYSDD-UHFFFAOYSA-N
XLogP3.06
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]quinolin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]quinolin-8-ol?
The IUPAC name of 5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]quinolin-8-ol (CID 2486837) is 5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]quinolin-8-ol.
What is the SMILES notation for 5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]quinolin-8-ol?
The canonical SMILES for 5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]quinolin-8-ol is Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3ccc(O)c4ncccc34)CC2)c1.
What is the InChIKey of 5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]quinolin-8-ol?
The InChIKey is OKYRYCAREFYSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-16-5-6-17(2)21(14-16)29(27,28)25-12-10-24(11-13-25)15-18-7-8-20(26)22-19(18)4-3-9-23-22/h3-9,14,26H,10-13,15H2,1-2H3.
What are the key properties of 5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]quinolin-8-ol?
5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]quinolin-8-ol has a molecular weight of 411.53 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]quinolin-8-ol is sourced from PubChem (CID 2486837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).