2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4,8-dimethylquinoline

C23H27N3O4S — CID 108781202

IUPAC2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4,8-dimethylquinoline
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3cc(C)c4cccc(C)c4n3)CC2)cc1OC
InChIInChI=1S/C23H27N3O4S/c1-16-6-5-7-19-17(2)14-22(24-23(16)19)25-10-12-26(13-11-25)31(27,28)18-8-9-20(29-3)21(15-18)30-4/h5-9,14-15H,10-13H2,1-4H3
InChIKeyJZDYCFQKGYQLER-UHFFFAOYSA-N
MW441.55 g/mol
LogP3.38
Rot. Bonds5

About 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4,8-dimethylquinoline

2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4,8-dimethylquinoline (PubChem CID 108781202) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4,8-dimethylquinoline.

Molecular Properties

Compound Name2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4,8-dimethylquinoline
PubChem CID108781202
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC Name2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4,8-dimethylquinoline
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3cc(C)c4cccc(C)c4n3)CC2)cc1OC
InChIInChI=1S/C23H27N3O4S/c1-16-6-5-7-19-17(2)14-22(24-23(16)19)25-10-12-26(13-11-25)31(27,28)18-8-9-20(29-3)21(15-18)30-4/h5-9,14-15H,10-13H2,1-4H3
InChIKeyJZDYCFQKGYQLER-UHFFFAOYSA-N
XLogP3.38
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,4-dimethoxyphenyl)-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone
CID 108754706
4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methylpyrimidine
CID 42473902
4-[6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 50806875
3-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole
CID 110645929
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 1088778
2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole
CID 110603064
6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122348613
1-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 108731191
4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine
CID 121035214
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine
CID 1279364
[4-[(E)-3-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
CID 108754779

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4,8-dimethylquinoline?
The IUPAC name of 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4,8-dimethylquinoline (CID 108781202) is 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4,8-dimethylquinoline.
What is the SMILES notation for 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4,8-dimethylquinoline?
The canonical SMILES for 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4,8-dimethylquinoline is COc1ccc(S(=O)(=O)N2CCN(c3cc(C)c4cccc(C)c4n3)CC2)cc1OC.
What is the InChIKey of 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4,8-dimethylquinoline?
The InChIKey is JZDYCFQKGYQLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-16-6-5-7-19-17(2)14-22(24-23(16)19)25-10-12-26(13-11-25)31(27,28)18-8-9-20(29-3)21(15-18)30-4/h5-9,14-15H,10-13H2,1-4H3.
What are the key properties of 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4,8-dimethylquinoline?
2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4,8-dimethylquinoline has a molecular weight of 441.55 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4,8-dimethylquinoline is sourced from PubChem (CID 108781202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).