quinoxaline-5,6-dione

C8H4N2O2 — CID 21467204

IUPACquinoxaline-5,6-dione
SMILESO=C1C=Cc2nccnc2C1=O
InChIInChI=1S/C8H4N2O2/c11-6-2-1-5-7(8(6)12)10-4-3-9-5/h1-4H
InChIKeyRQCSGJHVDWKATN-UHFFFAOYSA-N
MW160.13 g/mol
LogP0.26
Rot. Bonds

About quinoxaline-5,6-dione

quinoxaline-5,6-dione (PubChem CID 21467204) has the molecular formula C8H4N2O2 and a molecular weight of 160.13 g/mol. Its IUPAC name is quinoxaline-5,6-dione.

Molecular Properties

Compound Namequinoxaline-5,6-dione
PubChem CID21467204
Molecular FormulaC8H4N2O2
Molecular Weight160.13 g/mol
Exact Mass160.03
IUPAC Namequinoxaline-5,6-dione
SMILESO=C1C=Cc2nccnc2C1=O
InChIInChI=1S/C8H4N2O2/c11-6-2-1-5-7(8(6)12)10-4-3-9-5/h1-4H
InChIKeyRQCSGJHVDWKATN-UHFFFAOYSA-N
XLogP0.26
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 ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of quinoxaline-5,6-dione?
The IUPAC name of quinoxaline-5,6-dione (CID 21467204) is quinoxaline-5,6-dione.
What is the SMILES notation for quinoxaline-5,6-dione?
The canonical SMILES for quinoxaline-5,6-dione is O=C1C=Cc2nccnc2C1=O.
What is the InChIKey of quinoxaline-5,6-dione?
The InChIKey is RQCSGJHVDWKATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N2O2/c11-6-2-1-5-7(8(6)12)10-4-3-9-5/h1-4H.
What are the key properties of quinoxaline-5,6-dione?
quinoxaline-5,6-dione has a molecular weight of 160.13 g/mol, XLogP of 0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinoxaline-5,6-dione is sourced from PubChem (CID 21467204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).