4-(4-ethylpiperazin-1-yl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinoline

C24H29N3O4S — CID 16807320

IUPAC4-(4-ethylpiperazin-1-yl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinoline
SMILESCCN1CCN(c2c(S(=O)(=O)c3ccc(C)cc3)cnc3cc(OC)c(OC)cc23)CC1
InChIInChI=1S/C24H29N3O4S/c1-5-26-10-12-27(13-11-26)24-19-14-21(30-3)22(31-4)15-20(19)25-16-23(24)32(28,29)18-8-6-17(2)7-9-18/h6-9,14-16H,5,10-13H2,1-4H3
InChIKeyWHJPAHMLBRCURY-UHFFFAOYSA-N
MW455.58 g/mol
LogP3.54
Rot. Bonds6

About 4-(4-ethylpiperazin-1-yl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinoline

4-(4-ethylpiperazin-1-yl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinoline (PubChem CID 16807320) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinoline.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinoline
PubChem CID16807320
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC Name4-(4-ethylpiperazin-1-yl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinoline
SMILESCCN1CCN(c2c(S(=O)(=O)c3ccc(C)cc3)cnc3cc(OC)c(OC)cc23)CC1
InChIInChI=1S/C24H29N3O4S/c1-5-26-10-12-27(13-11-26)24-19-14-21(30-3)22(31-4)15-20(19)25-16-23(24)32(28,29)18-8-6-17(2)7-9-18/h6-9,14-16H,5,10-13H2,1-4H3
InChIKeyWHJPAHMLBRCURY-UHFFFAOYSA-N
XLogP3.54
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(4-ethylpiperazin-1-yl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinoline with MolForge

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Related Compounds

6,7-dimethoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperazin-1-yl)quinoline
CID 16807387
3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylpiperazin-1-yl)-6-methoxyquinoline
CID 16807335
4-(azepan-1-yl)-3-(4-chlorophenyl)sulfonyl-6,7-dimethoxyquinoline
CID 18559569
3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-(4-ethylpiperazin-1-yl)quinoline
CID 16807334
3-(benzenesulfonyl)-4-(4-ethylpiperazin-1-yl)-6-fluoroquinoline
CID 20882619
N-(4-chlorophenyl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine
CID 16804653
4-[4-[4-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]piperidin-1-yl]-6-methylquinolin-3-yl]sulfonyl-2-fluorophenol
CID 156728026
6-fluoro-4-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonylquinoline
CID 18590830
4-[4-[4-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]piperidin-1-yl]-6-methylquinolin-3-yl]sulfonyl-2-fluorophenol;propane
CID 156728913
6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline
CID 18559573
N,N-diethyl-1-[3-(4-ethylphenyl)sulfonyl-6-methylquinolin-4-yl]piperidin-4-amine
CID 158372333
N-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine
CID 18590835

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinoline?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinoline (CID 16807320) is 4-(4-ethylpiperazin-1-yl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinoline.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinoline?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinoline is CCN1CCN(c2c(S(=O)(=O)c3ccc(C)cc3)cnc3cc(OC)c(OC)cc23)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinoline?
The InChIKey is WHJPAHMLBRCURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-5-26-10-12-27(13-11-26)24-19-14-21(30-3)22(31-4)15-20(19)25-16-23(24)32(28,29)18-8-6-17(2)7-9-18/h6-9,14-16H,5,10-13H2,1-4H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinoline?
4-(4-ethylpiperazin-1-yl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinoline has a molecular weight of 455.58 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinoline is sourced from PubChem (CID 16807320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).