1,4-dimethyl-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylquinoxaline-2,3-dione

C22H26N4O4S — CID 3244269

IUPAC1,4-dimethyl-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylquinoxaline-2,3-dione
SMILESCc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)n(C)c(=O)c(=O)n4C)CC2C)c1
InChIInChI=1S/C22H26N4O4S/c1-15-6-5-7-17(12-15)26-11-10-25(14-16(26)2)31(29,30)18-8-9-19-20(13-18)24(4)22(28)21(27)23(19)3/h5-9,12-13,16H,10-11,14H2,1-4H3
InChIKeyOGOXZKKOBZKKES-UHFFFAOYSA-N
MW442.54 g/mol
LogP1.45
Rot. Bonds3

About 1,4-dimethyl-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylquinoxaline-2,3-dione

1,4-dimethyl-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylquinoxaline-2,3-dione (PubChem CID 3244269) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is 1,4-dimethyl-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylquinoxaline-2,3-dione.

Molecular Properties

Compound Name1,4-dimethyl-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylquinoxaline-2,3-dione
PubChem CID3244269
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC Name1,4-dimethyl-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylquinoxaline-2,3-dione
SMILESCc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)n(C)c(=O)c(=O)n4C)CC2C)c1
InChIInChI=1S/C22H26N4O4S/c1-15-6-5-7-17(12-15)26-11-10-25(14-16(26)2)31(29,30)18-8-9-19-20(13-18)24(4)22(28)21(27)23(19)3/h5-9,12-13,16H,10-11,14H2,1-4H3
InChIKeyOGOXZKKOBZKKES-UHFFFAOYSA-N
XLogP1.45
TPSA84.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 3406889
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4-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine
CID 3315256
4-(2-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine
CID 23741901
(2R)-2-methyl-1-(3-methylphenyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine
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2-methyl-4-[4-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylphenyl]-1,3-oxazole
CID 92505236
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4-(3,4-dimethylphenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine
CID 19682975
2-methyl-1-(3-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine
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CID 4071561
[1,5-dimethyl-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylpyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 53068623
6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-benzoxazol-2-one
CID 53075456

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylquinoxaline-2,3-dione?
The IUPAC name of 1,4-dimethyl-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylquinoxaline-2,3-dione (CID 3244269) is 1,4-dimethyl-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylquinoxaline-2,3-dione.
What is the SMILES notation for 1,4-dimethyl-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylquinoxaline-2,3-dione?
The canonical SMILES for 1,4-dimethyl-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylquinoxaline-2,3-dione is Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)n(C)c(=O)c(=O)n4C)CC2C)c1.
What is the InChIKey of 1,4-dimethyl-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylquinoxaline-2,3-dione?
The InChIKey is OGOXZKKOBZKKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-15-6-5-7-17(12-15)26-11-10-25(14-16(26)2)31(29,30)18-8-9-19-20(13-18)24(4)22(28)21(27)23(19)3/h5-9,12-13,16H,10-11,14H2,1-4H3.
What are the key properties of 1,4-dimethyl-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylquinoxaline-2,3-dione?
1,4-dimethyl-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylquinoxaline-2,3-dione has a molecular weight of 442.54 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylquinoxaline-2,3-dione is sourced from PubChem (CID 3244269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).