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

C18H15ClN2O3 — CID 22520455

IUPAC1-[(3-chlorophenyl)methyl]-4-(3-methoxyphenyl)pyrazine-2,3-dione
SMILESCOc1cccc(-n2ccn(Cc3cccc(Cl)c3)c(=O)c2=O)c1
InChIInChI=1S/C18H15ClN2O3/c1-24-16-7-3-6-15(11-16)21-9-8-20(17(22)18(21)23)12-13-4-2-5-14(19)10-13/h2-11H,12H2,1H3
InChIKeyMBEIMKJRBFFKHD-UHFFFAOYSA-N
MW342.78 g/mol
LogP2.71
Rot. Bonds4

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

1-[(3-chlorophenyl)methyl]-4-(3-methoxyphenyl)pyrazine-2,3-dione (PubChem CID 22520455) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-4-(3-methoxyphenyl)pyrazine-2,3-dione.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-4-(3-methoxyphenyl)pyrazine-2,3-dione
PubChem CID22520455
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name1-[(3-chlorophenyl)methyl]-4-(3-methoxyphenyl)pyrazine-2,3-dione
SMILESCOc1cccc(-n2ccn(Cc3cccc(Cl)c3)c(=O)c2=O)c1
InChIInChI=1S/C18H15ClN2O3/c1-24-16-7-3-6-15(11-16)21-9-8-20(17(22)18(21)23)12-13-4-2-5-14(19)10-13/h2-11H,12H2,1H3
InChIKeyMBEIMKJRBFFKHD-UHFFFAOYSA-N
XLogP2.71
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 52.71
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

1-[(3-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)pyrazine-2,3-dione
CID 22520380
1-[(2-chloro-6-fluorophenyl)methyl]-4-(3-methoxyphenyl)pyrazine-2,3-dione
CID 22520458
2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22520365
1-[(3-chlorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione
CID 7286772
1-(3-chlorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione
CID 7286911
1-(3,4-dimethoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione
CID 22520485
1-(3,4-dimethoxyphenyl)-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione
CID 7286781
1-but-2-ynyl-4-[(3-chlorophenyl)methyl]pyrazine-2,3-dione
CID 163349730
1-(3-ethylphenyl)-4-[(4-fluorophenyl)methyl]pyrazine-2,3-dione
CID 7286786
1-[(3-chlorophenyl)methyl]-N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524342
1-(3-chlorophenyl)-4-prop-2-ynylpyrazine-2,3-dione
CID 163355206
1-ethyl-3-[(3-methoxyphenyl)methyl]imidazol-2-one
CID 116624332

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-4-(3-methoxyphenyl)pyrazine-2,3-dione?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-4-(3-methoxyphenyl)pyrazine-2,3-dione (CID 22520455) is 1-[(3-chlorophenyl)methyl]-4-(3-methoxyphenyl)pyrazine-2,3-dione.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-4-(3-methoxyphenyl)pyrazine-2,3-dione?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-4-(3-methoxyphenyl)pyrazine-2,3-dione is COc1cccc(-n2ccn(Cc3cccc(Cl)c3)c(=O)c2=O)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-4-(3-methoxyphenyl)pyrazine-2,3-dione?
The InChIKey is MBEIMKJRBFFKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-24-16-7-3-6-15(11-16)21-9-8-20(17(22)18(21)23)12-13-4-2-5-14(19)10-13/h2-11H,12H2,1H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-4-(3-methoxyphenyl)pyrazine-2,3-dione?
1-[(3-chlorophenyl)methyl]-4-(3-methoxyphenyl)pyrazine-2,3-dione has a molecular weight of 342.78 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-4-(3-methoxyphenyl)pyrazine-2,3-dione is sourced from PubChem (CID 22520455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).