3,3-dimethyl-4-[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]-1H-quinoxalin-2-one

C23H28N4O2 — CID 8725457

IUPAC3,3-dimethyl-4-[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]-1H-quinoxalin-2-one
SMILESCc1ccccc1N1CCN(CC(=O)N2c3ccccc3NC(=O)C2(C)C)CC1
InChIInChI=1S/C23H28N4O2/c1-17-8-4-6-10-19(17)26-14-12-25(13-15-26)16-21(28)27-20-11-7-5-9-18(20)24-22(29)23(27,2)3/h4-11H,12-16H2,1-3H3,(H,24,29)
InChIKeyAYIVKHNBQDIODE-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.88
Rot. Bonds3

About 3,3-dimethyl-4-[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]-1H-quinoxalin-2-one

3,3-dimethyl-4-[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]-1H-quinoxalin-2-one (PubChem CID 8725457) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3,3-dimethyl-4-[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]-1H-quinoxalin-2-one
PubChem CID8725457
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name3,3-dimethyl-4-[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]-1H-quinoxalin-2-one
SMILESCc1ccccc1N1CCN(CC(=O)N2c3ccccc3NC(=O)C2(C)C)CC1
InChIInChI=1S/C23H28N4O2/c1-17-8-4-6-10-19(17)26-14-12-25(13-15-26)16-21(28)27-20-11-7-5-9-18(20)24-22(29)23(27,2)3/h4-11H,12-16H2,1-3H3,(H,24,29)
InChIKeyAYIVKHNBQDIODE-UHFFFAOYSA-N
XLogP2.88
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]-1H-quinoxalin-2-one
CID 31629615
3,3-dimethyl-4-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetyl]-1H-quinoxalin-2-one
CID 16573038
4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 8896899
3,3-dimethyl-4-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-1H-quinoxalin-2-one
CID 8903306
(3aR,7aS)-2-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 7952230
3,3-dimethyl-4-[2-(2,3,5,6-tetramethylphenyl)sulfanylacetyl]-1H-quinoxalin-2-one
CID 7468587
2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 3088677
4-[2-(4-acetylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55471943
3,3-dimethyl-4-[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]-1H-quinoxalin-2-one
CID 8974382
4-[2-(4-hydroxyphenyl)sulfanylacetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 87010353
3,3-dimethyl-4-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]-1H-quinoxalin-2-one
CID 4855135
1-(4-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 51363182

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]-1H-quinoxalin-2-one?
The IUPAC name of 3,3-dimethyl-4-[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]-1H-quinoxalin-2-one (CID 8725457) is 3,3-dimethyl-4-[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3,3-dimethyl-4-[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]-1H-quinoxalin-2-one is Cc1ccccc1N1CCN(CC(=O)N2c3ccccc3NC(=O)C2(C)C)CC1.
What is the InChIKey of 3,3-dimethyl-4-[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]-1H-quinoxalin-2-one?
The InChIKey is AYIVKHNBQDIODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-17-8-4-6-10-19(17)26-14-12-25(13-15-26)16-21(28)27-20-11-7-5-9-18(20)24-22(29)23(27,2)3/h4-11H,12-16H2,1-3H3,(H,24,29).
What are the key properties of 3,3-dimethyl-4-[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]-1H-quinoxalin-2-one?
3,3-dimethyl-4-[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]-1H-quinoxalin-2-one has a molecular weight of 392.50 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 8725457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).