1-[4-[3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone

C24H26N6O4S — CID 16623460

IUPAC1-[4-[3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCN(C)c4nc5ccccc5nc43)c2)CC1
InChIInChI=1S/C24H26N6O4S/c1-17(31)28-11-13-29(14-12-28)35(33,34)19-7-5-6-18(16-19)24(32)30-15-10-27(2)22-23(30)26-21-9-4-3-8-20(21)25-22/h3-9,16H,10-15H2,1-2H3
InChIKeyAPMQDYIDXLYUEQ-UHFFFAOYSA-N
MW494.58 g/mol
LogP1.58
Rot. Bonds3

About 1-[4-[3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone

1-[4-[3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone (PubChem CID 16623460) has the molecular formula C24H26N6O4S and a molecular weight of 494.58 g/mol. Its IUPAC name is 1-[4-[3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone
PubChem CID16623460
Molecular FormulaC24H26N6O4S
Molecular Weight494.58 g/mol
Exact Mass494.17
IUPAC Name1-[4-[3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCN(C)c4nc5ccccc5nc43)c2)CC1
InChIInChI=1S/C24H26N6O4S/c1-17(31)28-11-13-29(14-12-28)35(33,34)19-7-5-6-18(16-19)24(32)30-15-10-27(2)22-23(30)26-21-9-4-3-8-20(21)25-22/h3-9,16H,10-15H2,1-2H3
InChIKeyAPMQDYIDXLYUEQ-UHFFFAOYSA-N
XLogP1.58
TPSA107.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.58
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(azepan-1-ylsulfonyl)phenyl]-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone
CID 24628022
(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 4855032
1-[4-[3-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-1-yl]ethanone
CID 45355973
[4-(benzenesulfonyl)piperazin-1-yl]-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 55339492
(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-(3-methylphenyl)methanone
CID 9192955
1-[4-[3-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]phenyl]sulfonylpiperazin-1-yl]ethanone
CID 41409836
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CID 18270283
1-[4-[3-(3-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 18280417
4-[3-(4-methylpiperazin-1-yl)sulfonylbenzoyl]piperazine-1-carbaldehyde
CID 110408530
(2,5-dichlorophenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone
CID 16609536
3-(4-acetylpiperazin-1-yl)sulfonyl-N'-(4-bromobenzoyl)benzohydrazide
CID 25163191
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone (CID 16623460) is 1-[4-[3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone is CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCN(C)c4nc5ccccc5nc43)c2)CC1.
What is the InChIKey of 1-[4-[3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone?
The InChIKey is APMQDYIDXLYUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4S/c1-17(31)28-11-13-29(14-12-28)35(33,34)19-7-5-6-18(16-19)24(32)30-15-10-27(2)22-23(30)26-21-9-4-3-8-20(21)25-22/h3-9,16H,10-15H2,1-2H3.
What are the key properties of 1-[4-[3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone?
1-[4-[3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone has a molecular weight of 494.58 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 16623460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).