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

C23H27N3O4S — CID 16807349

IUPAC6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperazin-1-yl)quinoline
SMILESCCOc1ccc2ncc(S(=O)(=O)c3ccc(OC)cc3)c(N3CCN(C)CC3)c2c1
InChIInChI=1S/C23H27N3O4S/c1-4-30-18-7-10-21-20(15-18)23(26-13-11-25(2)12-14-26)22(16-24-21)31(27,28)19-8-5-17(29-3)6-9-19/h5-10,15-16H,4,11-14H2,1-3H3
InChIKeyJEZWZIJVPGVNEP-UHFFFAOYSA-N
MW441.55 g/mol
LogP3.23
Rot. Bonds6

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

6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperazin-1-yl)quinoline (PubChem CID 16807349) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is 6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperazin-1-yl)quinoline
PubChem CID16807349
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC Name6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperazin-1-yl)quinoline
SMILESCCOc1ccc2ncc(S(=O)(=O)c3ccc(OC)cc3)c(N3CCN(C)CC3)c2c1
InChIInChI=1S/C23H27N3O4S/c1-4-30-18-7-10-21-20(15-18)23(26-13-11-25(2)12-14-26)22(16-24-21)31(27,28)19-8-5-17(29-3)6-9-19/h5-10,15-16H,4,11-14H2,1-3H3
InChIKeyJEZWZIJVPGVNEP-UHFFFAOYSA-N
XLogP3.23
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-ethoxy-3-(4-methoxyphenyl)sulfonyl-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 6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperazin-1-yl)quinoline?
The IUPAC name of 6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperazin-1-yl)quinoline (CID 16807349) is 6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperazin-1-yl)quinoline.
What is the SMILES notation for 6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperazin-1-yl)quinoline?
The canonical SMILES for 6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperazin-1-yl)quinoline is CCOc1ccc2ncc(S(=O)(=O)c3ccc(OC)cc3)c(N3CCN(C)CC3)c2c1.
What is the InChIKey of 6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperazin-1-yl)quinoline?
The InChIKey is JEZWZIJVPGVNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-4-30-18-7-10-21-20(15-18)23(26-13-11-25(2)12-14-26)22(16-24-21)31(27,28)19-8-5-17(29-3)6-9-19/h5-10,15-16H,4,11-14H2,1-3H3.
What are the key properties of 6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperazin-1-yl)quinoline?
6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperazin-1-yl)quinoline has a molecular weight of 441.55 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperazin-1-yl)quinoline is sourced from PubChem (CID 16807349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).