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

C19H18N2O3 — CID 7286758

IUPAC1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione
SMILESCOc1ccccc1-n1ccn(Cc2cccc(C)c2)c(=O)c1=O
InChIInChI=1S/C19H18N2O3/c1-14-6-5-7-15(12-14)13-20-10-11-21(19(23)18(20)22)16-8-3-4-9-17(16)24-2/h3-12H,13H2,1-2H3
InChIKeyDVOYUOJUVNASHS-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.36
Rot. Bonds4

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

1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione (PubChem CID 7286758) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione
PubChem CID7286758
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione
SMILESCOc1ccccc1-n1ccn(Cc2cccc(C)c2)c(=O)c1=O
InChIInChI=1S/C19H18N2O3/c1-14-6-5-7-15(12-14)13-20-10-11-21(19(23)18(20)22)16-8-3-4-9-17(16)24-2/h3-12H,13H2,1-2H3
InChIKeyDVOYUOJUVNASHS-UHFFFAOYSA-N
XLogP2.36
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.36
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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione?
The IUPAC name of 1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione (CID 7286758) is 1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione is COc1ccccc1-n1ccn(Cc2cccc(C)c2)c(=O)c1=O.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione?
The InChIKey is DVOYUOJUVNASHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-14-6-5-7-15(12-14)13-20-10-11-21(19(23)18(20)22)16-8-3-4-9-17(16)24-2/h3-12H,13H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione?
1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione has a molecular weight of 322.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione is sourced from PubChem (CID 7286758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).