quinoxaline-2,3-dione

C8H4N2O2 — CID 11469229

IUPACquinoxaline-2,3-dione
SMILESO=C1N=c2ccccc2=NC1=O
InChIInChI=1S/C8H4N2O2/c11-7-8(12)10-6-4-2-1-3-5(6)9-7/h1-4H
InChIKeySEPKUNXLGWMPHL-UHFFFAOYSA-N
MW160.13 g/mol
LogP-1.01
Rot. Bonds

About quinoxaline-2,3-dione

quinoxaline-2,3-dione (PubChem CID 11469229) has the molecular formula C8H4N2O2 and a molecular weight of 160.13 g/mol. Its IUPAC name is quinoxaline-2,3-dione.

Molecular Properties

Compound Namequinoxaline-2,3-dione
PubChem CID11469229
Molecular FormulaC8H4N2O2
Molecular Weight160.13 g/mol
Exact Mass160.03
IUPAC Namequinoxaline-2,3-dione
SMILESO=C1N=c2ccccc2=NC1=O
InChIInChI=1S/C8H4N2O2/c11-7-8(12)10-6-4-2-1-3-5(6)9-7/h1-4H
InChIKeySEPKUNXLGWMPHL-UHFFFAOYSA-N
XLogP-1.01
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.13
LogP ≤ 5-1.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Fluoro-8-methyl quinoxaline-2,3-dione
CID 129884348
2,3-Dioxo-2,3-dihydroquinoxaline-6-carbonitrile
CID 17800807
Quinoxa-line-2,3-dione hydrochloride
CID 22073418
2,3-Dihydroquinolinone
CID 56625474
3-Oxochinoxalin
CID 57169914
6-Chloroquinoxaline-2,3-dione
CID 70258835
5,6,7-Trifluoroquinoxaline-2,3-dione
CID 53876232
6-(Trifluoromethyl)quinoxaline-2,3-dione
CID 54314193
7-bromo-3H-quinoxalin-2-one
CID 71773260
(3S)-3-methyl-3H-quinoxalin-2-one
CID 119057459
2-Amino-3-quinoxalone
CID 72207653
Benzo[g]quinoxalinedione
CID 85280093

Frequently Asked Questions

What is the IUPAC name of quinoxaline-2,3-dione?
The IUPAC name of quinoxaline-2,3-dione (CID 11469229) is quinoxaline-2,3-dione.
What is the SMILES notation for quinoxaline-2,3-dione?
The canonical SMILES for quinoxaline-2,3-dione is O=C1N=c2ccccc2=NC1=O.
What is the InChIKey of quinoxaline-2,3-dione?
The InChIKey is SEPKUNXLGWMPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N2O2/c11-7-8(12)10-6-4-2-1-3-5(6)9-7/h1-4H.
What are the key properties of quinoxaline-2,3-dione?
quinoxaline-2,3-dione has a molecular weight of 160.13 g/mol, XLogP of -1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for quinoxaline-2,3-dione is sourced from PubChem (CID 11469229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).