1-[(3-chlorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione

C21H15ClN2O2 — CID 7286772

IUPAC1-[(3-chlorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione
SMILESO=c1c(=O)n(-c2cccc3ccccc23)ccn1Cc1cccc(Cl)c1
InChIInChI=1S/C21H15ClN2O2/c22-17-8-3-5-15(13-17)14-23-11-12-24(21(26)20(23)25)19-10-4-7-16-6-1-2-9-18(16)19/h1-13H,14H2
InChIKeyOYUIMMPOORSBMC-UHFFFAOYSA-N
MW362.82 g/mol
LogP3.85
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione

1-[(3-chlorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione (PubChem CID 7286772) has the molecular formula C21H15ClN2O2 and a molecular weight of 362.82 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione
PubChem CID7286772
Molecular FormulaC21H15ClN2O2
Molecular Weight362.82 g/mol
Exact Mass362.08
IUPAC Name1-[(3-chlorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione
SMILESO=c1c(=O)n(-c2cccc3ccccc23)ccn1Cc1cccc(Cl)c1
InChIInChI=1S/C21H15ClN2O2/c22-17-8-3-5-15(13-17)14-23-11-12-24(21(26)20(23)25)19-10-4-7-16-6-1-2-9-18(16)19/h1-13H,14H2
InChIKeyOYUIMMPOORSBMC-UHFFFAOYSA-N
XLogP3.85
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-chlorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione (CID 7286772) is 1-[(3-chlorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione is O=c1c(=O)n(-c2cccc3ccccc23)ccn1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione?
The InChIKey is OYUIMMPOORSBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O2/c22-17-8-3-5-15(13-17)14-23-11-12-24(21(26)20(23)25)19-10-4-7-16-6-1-2-9-18(16)19/h1-13H,14H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione?
1-[(3-chlorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione has a molecular weight of 362.82 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione is sourced from PubChem (CID 7286772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).