1-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-methylpyrazine-2,3-dione

C15H16N2O4 — CID 62928915

IUPAC1-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-methylpyrazine-2,3-dione
SMILESCCOc1ccc(C(=O)Cn2ccn(C)c(=O)c2=O)cc1
InChIInChI=1S/C15H16N2O4/c1-3-21-12-6-4-11(5-7-12)13(18)10-17-9-8-16(2)14(19)15(17)20/h4-9H,3,10H2,1-2H3
InChIKeyLZQNGMULSJLGGV-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.83
Rot. Bonds5

About 1-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-methylpyrazine-2,3-dione

1-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-methylpyrazine-2,3-dione (PubChem CID 62928915) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-methylpyrazine-2,3-dione.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-methylpyrazine-2,3-dione
PubChem CID62928915
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name1-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-methylpyrazine-2,3-dione
SMILESCCOc1ccc(C(=O)Cn2ccn(C)c(=O)c2=O)cc1
InChIInChI=1S/C15H16N2O4/c1-3-21-12-6-4-11(5-7-12)13(18)10-17-9-8-16(2)14(19)15(17)20/h4-9H,3,10H2,1-2H3
InChIKeyLZQNGMULSJLGGV-UHFFFAOYSA-N
XLogP0.83
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-iodophenyl)-2-oxoethyl]-4-methylpyrazine-2,3-dione
CID 55156628
1-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione
CID 30565230
1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 62024838
3-[2-(4-ethoxyphenyl)-2-oxoethyl]-1,3-thiazol-2-one
CID 63312406
4-[2-(4-methyl-2,3-dioxopyrazin-1-yl)ethoxy]benzoic acid
CID 62929781
5-bromo-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-6-methylpyrimidin-4-one
CID 66308125
5-chloro-1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 66425954
1-(2-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione
CID 30565239
4-[2-(4-ethoxyphenyl)-2-oxoethyl]-1-methyl-1,4-diazepan-2-one
CID 102889619
1-(4-ethoxyphenyl)-2-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide
CID 173395195
1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrrolidin-2-one
CID 62018618
3-[2-(4-ethoxyphenyl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 63312478

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-methylpyrazine-2,3-dione?
The IUPAC name of 1-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-methylpyrazine-2,3-dione (CID 62928915) is 1-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-methylpyrazine-2,3-dione.
What is the SMILES notation for 1-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-methylpyrazine-2,3-dione?
The canonical SMILES for 1-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-methylpyrazine-2,3-dione is CCOc1ccc(C(=O)Cn2ccn(C)c(=O)c2=O)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-methylpyrazine-2,3-dione?
The InChIKey is LZQNGMULSJLGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-3-21-12-6-4-11(5-7-12)13(18)10-17-9-8-16(2)14(19)15(17)20/h4-9H,3,10H2,1-2H3.
What are the key properties of 1-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-methylpyrazine-2,3-dione?
1-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-methylpyrazine-2,3-dione has a molecular weight of 288.30 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-methylpyrazine-2,3-dione is sourced from PubChem (CID 62928915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).