3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylpiperazin-1-yl)-6-methoxyquinoline

C24H29N3O3S — CID 16807335

IUPAC3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylpiperazin-1-yl)-6-methoxyquinoline
SMILESCCN1CCN(c2c(S(=O)(=O)c3ccc(C)c(C)c3)cnc3ccc(OC)cc23)CC1
InChIInChI=1S/C24H29N3O3S/c1-5-26-10-12-27(13-11-26)24-21-15-19(30-4)7-9-22(21)25-16-23(24)31(28,29)20-8-6-17(2)18(3)14-20/h6-9,14-16H,5,10-13H2,1-4H3
InChIKeyCHAXQTLYCGPKEV-UHFFFAOYSA-N
MW439.58 g/mol
LogP3.83
Rot. Bonds5

About 3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylpiperazin-1-yl)-6-methoxyquinoline

3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylpiperazin-1-yl)-6-methoxyquinoline (PubChem CID 16807335) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylpiperazin-1-yl)-6-methoxyquinoline.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylpiperazin-1-yl)-6-methoxyquinoline
PubChem CID16807335
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC Name3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylpiperazin-1-yl)-6-methoxyquinoline
SMILESCCN1CCN(c2c(S(=O)(=O)c3ccc(C)c(C)c3)cnc3ccc(OC)cc23)CC1
InChIInChI=1S/C24H29N3O3S/c1-5-26-10-12-27(13-11-26)24-21-15-19(30-4)7-9-22(21)25-16-23(24)31(28,29)20-8-6-17(2)18(3)14-20/h6-9,14-16H,5,10-13H2,1-4H3
InChIKeyCHAXQTLYCGPKEV-UHFFFAOYSA-N
XLogP3.83
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylpiperazin-1-yl)-6-methoxyquinoline with MolForge

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Related Compounds

3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-(4-ethylpiperazin-1-yl)quinoline
CID 16807334
ethyl 1-[3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinolin-4-yl]piperidine-4-carboxylate
CID 16825260
4-(4-ethylpiperazin-1-yl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinoline
CID 16807320
ethyl (3R)-1-[3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinolin-4-yl]piperidine-3-carboxylate
CID 30437598
ethyl (3S)-1-[3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinolin-4-yl]piperidine-3-carboxylate
CID 30437603
4-chloro-3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinoline
CID 56923475
6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline
CID 18559573
3-(benzenesulfonyl)-4-(4-ethylpiperazin-1-yl)-6-fluoroquinoline
CID 20882619
ethyl 1-[3-(3,4-dimethylphenyl)sulfonyl-6-ethoxyquinolin-4-yl]piperidine-3-carboxylate
CID 18559744
6,7-dimethoxy-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperazin-1-yl)quinoline
CID 16807387
3-(4-ethoxy-2-fluorophenyl)sulfonyl-4-[4-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]piperidin-1-yl]-6-methoxyquinoline
CID 160963595
6-ethyl-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline
CID 7184120

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylpiperazin-1-yl)-6-methoxyquinoline?
The IUPAC name of 3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylpiperazin-1-yl)-6-methoxyquinoline (CID 16807335) is 3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylpiperazin-1-yl)-6-methoxyquinoline.
What is the SMILES notation for 3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylpiperazin-1-yl)-6-methoxyquinoline?
The canonical SMILES for 3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylpiperazin-1-yl)-6-methoxyquinoline is CCN1CCN(c2c(S(=O)(=O)c3ccc(C)c(C)c3)cnc3ccc(OC)cc23)CC1.
What is the InChIKey of 3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylpiperazin-1-yl)-6-methoxyquinoline?
The InChIKey is CHAXQTLYCGPKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-5-26-10-12-27(13-11-26)24-21-15-19(30-4)7-9-22(21)25-16-23(24)31(28,29)20-8-6-17(2)18(3)14-20/h6-9,14-16H,5,10-13H2,1-4H3.
What are the key properties of 3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylpiperazin-1-yl)-6-methoxyquinoline?
3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylpiperazin-1-yl)-6-methoxyquinoline has a molecular weight of 439.58 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylpiperazin-1-yl)-6-methoxyquinoline is sourced from PubChem (CID 16807335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).