5-hydroxy-1,4-dihydroquinoxaline-2,3-dione

C8H6N2O3 — CID 45121614

IUPAC5-hydroxy-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cccc(O)c2[nH]c1=O
InChIInChI=1S/C8H6N2O3/c11-5-3-1-2-4-6(5)10-8(13)7(12)9-4/h1-3,11H,(H,9,12)(H,10,13)
InChIKeyOFUUIIXSWNBTBM-UHFFFAOYSA-N
MW178.15 g/mol
LogP-0.08
Rot. Bonds

About 5-hydroxy-1,4-dihydroquinoxaline-2,3-dione

5-hydroxy-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 45121614) has the molecular formula C8H6N2O3 and a molecular weight of 178.15 g/mol. Its IUPAC name is 5-hydroxy-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name5-hydroxy-1,4-dihydroquinoxaline-2,3-dione
PubChem CID45121614
Molecular FormulaC8H6N2O3
Molecular Weight178.15 g/mol
Exact Mass178.04
IUPAC Name5-hydroxy-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cccc(O)c2[nH]c1=O
InChIInChI=1S/C8H6N2O3/c11-5-3-1-2-4-6(5)10-8(13)7(12)9-4/h1-3,11H,(H,9,12)(H,10,13)
InChIKeyOFUUIIXSWNBTBM-UHFFFAOYSA-N
XLogP-0.08
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 5-hydroxy-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 5-hydroxy-1,4-dihydroquinoxaline-2,3-dione (CID 45121614) is 5-hydroxy-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 5-hydroxy-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 5-hydroxy-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2cccc(O)c2[nH]c1=O.
What is the InChIKey of 5-hydroxy-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is OFUUIIXSWNBTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3/c11-5-3-1-2-4-6(5)10-8(13)7(12)9-4/h1-3,11H,(H,9,12)(H,10,13).
What are the key properties of 5-hydroxy-1,4-dihydroquinoxaline-2,3-dione?
5-hydroxy-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 178.15 g/mol, XLogP of -0.08, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 45121614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).