1-(3,4-dimethoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione

C20H20N2O4 — CID 22520485

IUPAC1-(3,4-dimethoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione
SMILESCOc1ccc(-n2ccn(Cc3cccc(C)c3)c(=O)c2=O)cc1OC
InChIInChI=1S/C20H20N2O4/c1-14-5-4-6-15(11-14)13-21-9-10-22(20(24)19(21)23)16-7-8-17(25-2)18(12-16)26-3/h4-12H,13H2,1-3H3
InChIKeyGYGSZDYFQLEMMF-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.37
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione

1-(3,4-dimethoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione (PubChem CID 22520485) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione
PubChem CID22520485
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name1-(3,4-dimethoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione
SMILESCOc1ccc(-n2ccn(Cc3cccc(C)c3)c(=O)c2=O)cc1OC
InChIInChI=1S/C20H20N2O4/c1-14-5-4-6-15(11-14)13-21-9-10-22(20(24)19(21)23)16-7-8-17(25-2)18(12-16)26-3/h4-12H,13H2,1-3H3
InChIKeyGYGSZDYFQLEMMF-UHFFFAOYSA-N
XLogP2.37
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione (CID 22520485) is 1-(3,4-dimethoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione is COc1ccc(-n2ccn(Cc3cccc(C)c3)c(=O)c2=O)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione?
The InChIKey is GYGSZDYFQLEMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-14-5-4-6-15(11-14)13-21-9-10-22(20(24)19(21)23)16-7-8-17(25-2)18(12-16)26-3/h4-12H,13H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione?
1-(3,4-dimethoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione has a molecular weight of 352.39 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione is sourced from PubChem (CID 22520485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).