quinoxaline-5,8-dione

C8H4N2O2 — CID 11355645

IUPACquinoxaline-5,8-dione
SMILESO=C1C=CC(=O)c2nccnc21
InChIInChI=1S/C8H4N2O2/c11-5-1-2-6(12)8-7(5)9-3-4-10-8/h1-4H
InChIKeyGHLUWAJFYKILGZ-UHFFFAOYSA-N
MW160.13 g/mol
LogP0.41
Rot. Bonds

About quinoxaline-5,8-dione

quinoxaline-5,8-dione (PubChem CID 11355645) has the molecular formula C8H4N2O2 and a molecular weight of 160.13 g/mol. Its IUPAC name is quinoxaline-5,8-dione.

Molecular Properties

Compound Namequinoxaline-5,8-dione
PubChem CID11355645
Molecular FormulaC8H4N2O2
Molecular Weight160.13 g/mol
Exact Mass160.03
IUPAC Namequinoxaline-5,8-dione
SMILESO=C1C=CC(=O)c2nccnc21
InChIInChI=1S/C8H4N2O2/c11-5-1-2-6(12)8-7(5)9-3-4-10-8/h1-4H
InChIKeyGHLUWAJFYKILGZ-UHFFFAOYSA-N
XLogP0.41
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.13
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

2-Acetyl-3-methylpyrazine
CID 32093
2-Acetyl-3-ethylpyrazine
CID 61918
2-Acetyl-3,5-dimethylpyrazine
CID 104721
2-Acetyl-3,6-dimethylpyrazine
CID 104722
2,3-Dimethyl-5,8-quinoxalinedione
CID 265509
5,6,7,8-Tetrahydroquinoxalin-5-one
CID 22598408
6-(4-Morpholinyl)-5,8-quinoxalinedione
CID 288301
1-(3,5-Dimethyl-2-pyrazinyl)propanone
CID 571940
1-(3,6-Dimethylpyrazin-2-yl)propan-1-one
CID 571941
2-Acetyl-5,6,7,8-tetrahydroquinoxaline
CID 583849
(2E,4E)-1-(3-ethylpyrazin-2-yl)-9-methyldeca-2,4,8-trien-1-one
CID 178314045
Quinoxaline-5,6-quinone
CID 21467204

Frequently Asked Questions

What is the IUPAC name of quinoxaline-5,8-dione?
The IUPAC name of quinoxaline-5,8-dione (CID 11355645) is quinoxaline-5,8-dione.
What is the SMILES notation for quinoxaline-5,8-dione?
The canonical SMILES for quinoxaline-5,8-dione is O=C1C=CC(=O)c2nccnc21.
What is the InChIKey of quinoxaline-5,8-dione?
The InChIKey is GHLUWAJFYKILGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N2O2/c11-5-1-2-6(12)8-7(5)9-3-4-10-8/h1-4H.
What are the key properties of quinoxaline-5,8-dione?
quinoxaline-5,8-dione has a molecular weight of 160.13 g/mol, XLogP of 0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinoxaline-5,8-dione is sourced from PubChem (CID 11355645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).