1-methyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]quinoxaline-2,3-dione

C20H20N2O3 — CID 46786232

IUPAC1-methyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]quinoxaline-2,3-dione
SMILESCc1cc(C)c(C(=O)Cn2c(=O)c(=O)n(C)c3ccccc32)c(C)c1
InChIInChI=1S/C20H20N2O3/c1-12-9-13(2)18(14(3)10-12)17(23)11-22-16-8-6-5-7-15(16)21(4)19(24)20(22)25/h5-10H,11H2,1-4H3
InChIKeyXUTOBYLWQCWQMI-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.51
Rot. Bonds3

About 1-methyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]quinoxaline-2,3-dione

1-methyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]quinoxaline-2,3-dione (PubChem CID 46786232) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-methyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]quinoxaline-2,3-dione.

Molecular Properties

Compound Name1-methyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]quinoxaline-2,3-dione
PubChem CID46786232
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name1-methyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]quinoxaline-2,3-dione
SMILESCc1cc(C)c(C(=O)Cn2c(=O)c(=O)n(C)c3ccccc32)c(C)c1
InChIInChI=1S/C20H20N2O3/c1-12-9-13(2)18(14(3)10-12)17(23)11-22-16-8-6-5-7-15(16)21(4)19(24)20(22)25/h5-10H,11H2,1-4H3
InChIKeyXUTOBYLWQCWQMI-UHFFFAOYSA-N
XLogP2.51
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-methyl-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46356937
1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxamide
CID 46356950
2-(azocan-1-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 43219868
ethyl 1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxylate
CID 46356947
4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazine-1-carbaldehyde
CID 94283320
N-[3-(diethylamino)propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46356945
2-(4-methyl-2,3-dioxoquinoxalin-1-yl)-N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide
CID 46357058
5-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrimidine-2,4-dione
CID 60734768
1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 7975596
3,3-diphenyl-1-(2,4,6-trimethylphenyl)propan-1-one
CID 3112974
(3S)-3-(4-methylphenyl)-3-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one
CID 2249230
2-phenylphosphanyloxy-1-(2,4,6-trimethylphenyl)ethanone
CID 118112452

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]quinoxaline-2,3-dione?
The IUPAC name of 1-methyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]quinoxaline-2,3-dione (CID 46786232) is 1-methyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]quinoxaline-2,3-dione.
What is the SMILES notation for 1-methyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]quinoxaline-2,3-dione?
The canonical SMILES for 1-methyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]quinoxaline-2,3-dione is Cc1cc(C)c(C(=O)Cn2c(=O)c(=O)n(C)c3ccccc32)c(C)c1.
What is the InChIKey of 1-methyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]quinoxaline-2,3-dione?
The InChIKey is XUTOBYLWQCWQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-12-9-13(2)18(14(3)10-12)17(23)11-22-16-8-6-5-7-15(16)21(4)19(24)20(22)25/h5-10H,11H2,1-4H3.
What are the key properties of 1-methyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]quinoxaline-2,3-dione?
1-methyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]quinoxaline-2,3-dione has a molecular weight of 336.39 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]quinoxaline-2,3-dione is sourced from PubChem (CID 46786232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).