3-(4-chlorophenyl)sulfonyl-6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline

C22H24ClN3O3S — CID 16807376

IUPAC3-(4-chlorophenyl)sulfonyl-6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline
SMILESCCOc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCN(C)CC3)c2c1
InChIInChI=1S/C22H24ClN3O3S/c1-3-29-17-6-9-20-19(14-17)22(26-12-10-25(2)11-13-26)21(15-24-20)30(27,28)18-7-4-16(23)5-8-18/h4-9,14-15H,3,10-13H2,1-2H3
InChIKeyANZMYZLXYDTHQV-UHFFFAOYSA-N
MW445.97 g/mol
LogP3.87
Rot. Bonds5

About 3-(4-chlorophenyl)sulfonyl-6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline

3-(4-chlorophenyl)sulfonyl-6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline (PubChem CID 16807376) has the molecular formula C22H24ClN3O3S and a molecular weight of 445.97 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline
PubChem CID16807376
Molecular FormulaC22H24ClN3O3S
Molecular Weight445.97 g/mol
Exact Mass445.12
IUPAC Name3-(4-chlorophenyl)sulfonyl-6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline
SMILESCCOc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCN(C)CC3)c2c1
InChIInChI=1S/C22H24ClN3O3S/c1-3-29-17-6-9-20-19(14-17)22(26-12-10-25(2)11-13-26)21(15-24-20)30(27,28)18-7-4-16(23)5-8-18/h4-9,14-15H,3,10-13H2,1-2H3
InChIKeyANZMYZLXYDTHQV-UHFFFAOYSA-N
XLogP3.87
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.97
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(4-chlorophenyl)sulfonyl-6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline 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 3-(4-chlorophenyl)sulfonyl-6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline (CID 16807376) is 3-(4-chlorophenyl)sulfonyl-6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline is CCOc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCN(C)CC3)c2c1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline?
The InChIKey is ANZMYZLXYDTHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3S/c1-3-29-17-6-9-20-19(14-17)22(26-12-10-25(2)11-13-26)21(15-24-20)30(27,28)18-7-4-16(23)5-8-18/h4-9,14-15H,3,10-13H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline?
3-(4-chlorophenyl)sulfonyl-6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline has a molecular weight of 445.97 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline is sourced from PubChem (CID 16807376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).