4-hydroxy-2,3-dioxo-1H-quinoxaline-5,6-dicarbonitrile

C10H4N4O3 — CID 19990452

IUPAC4-hydroxy-2,3-dioxo-1H-quinoxaline-5,6-dicarbonitrile
SMILESN#Cc1ccc2[nH]c(=O)c(=O)n(O)c2c1C#N
InChIInChI=1S/C10H4N4O3/c11-3-5-1-2-7-8(6(5)4-12)14(17)10(16)9(15)13-7/h1-2,17H,(H,13,15)
InChIKeyLYMWFOZXYRBTCI-UHFFFAOYSA-N
MW228.17 g/mol
LogP-0.33
Rot. Bonds

About 4-hydroxy-2,3-dioxo-1H-quinoxaline-5,6-dicarbonitrile

4-hydroxy-2,3-dioxo-1H-quinoxaline-5,6-dicarbonitrile (PubChem CID 19990452) has the molecular formula C10H4N4O3 and a molecular weight of 228.17 g/mol. Its IUPAC name is 4-hydroxy-2,3-dioxo-1H-quinoxaline-5,6-dicarbonitrile.

Molecular Properties

Compound Name4-hydroxy-2,3-dioxo-1H-quinoxaline-5,6-dicarbonitrile
PubChem CID19990452
Molecular FormulaC10H4N4O3
Molecular Weight228.17 g/mol
Exact Mass228.03
IUPAC Name4-hydroxy-2,3-dioxo-1H-quinoxaline-5,6-dicarbonitrile
SMILESN#Cc1ccc2[nH]c(=O)c(=O)n(O)c2c1C#N
InChIInChI=1S/C10H4N4O3/c11-3-5-1-2-7-8(6(5)4-12)14(17)10(16)9(15)13-7/h1-2,17H,(H,13,15)
InChIKeyLYMWFOZXYRBTCI-UHFFFAOYSA-N
XLogP-0.33
TPSA122.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,3-dioxo-1H-quinoxaline-5,6-dicarbonitrile?
The IUPAC name of 4-hydroxy-2,3-dioxo-1H-quinoxaline-5,6-dicarbonitrile (CID 19990452) is 4-hydroxy-2,3-dioxo-1H-quinoxaline-5,6-dicarbonitrile.
What is the SMILES notation for 4-hydroxy-2,3-dioxo-1H-quinoxaline-5,6-dicarbonitrile?
The canonical SMILES for 4-hydroxy-2,3-dioxo-1H-quinoxaline-5,6-dicarbonitrile is N#Cc1ccc2[nH]c(=O)c(=O)n(O)c2c1C#N.
What is the InChIKey of 4-hydroxy-2,3-dioxo-1H-quinoxaline-5,6-dicarbonitrile?
The InChIKey is LYMWFOZXYRBTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4N4O3/c11-3-5-1-2-7-8(6(5)4-12)14(17)10(16)9(15)13-7/h1-2,17H,(H,13,15).
What are the key properties of 4-hydroxy-2,3-dioxo-1H-quinoxaline-5,6-dicarbonitrile?
4-hydroxy-2,3-dioxo-1H-quinoxaline-5,6-dicarbonitrile has a molecular weight of 228.17 g/mol, XLogP of -0.33, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,3-dioxo-1H-quinoxaline-5,6-dicarbonitrile is sourced from PubChem (CID 19990452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).