6,7-dichloro-4-hydroxy-1H-quinoxaline-2,3-dione

C8H4Cl2N2O3 — CID 10105992

IUPAC6,7-dichloro-4-hydroxy-1H-quinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(Cl)c(Cl)cc2n(O)c1=O
InChIInChI=1S/C8H4Cl2N2O3/c9-3-1-5-6(2-4(3)10)12(15)8(14)7(13)11-5/h1-2,15H,(H,11,13)
InChIKeyHPIBNFQXQQWUPW-UHFFFAOYSA-N
MW247.04 g/mol
LogP1.23
Rot. Bonds

About 6,7-dichloro-4-hydroxy-1H-quinoxaline-2,3-dione

6,7-dichloro-4-hydroxy-1H-quinoxaline-2,3-dione (PubChem CID 10105992) has the molecular formula C8H4Cl2N2O3 and a molecular weight of 247.04 g/mol. Its IUPAC name is 6,7-dichloro-4-hydroxy-1H-quinoxaline-2,3-dione.

Molecular Properties

Compound Name6,7-dichloro-4-hydroxy-1H-quinoxaline-2,3-dione
PubChem CID10105992
Molecular FormulaC8H4Cl2N2O3
Molecular Weight247.04 g/mol
Exact Mass245.96
IUPAC Name6,7-dichloro-4-hydroxy-1H-quinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(Cl)c(Cl)cc2n(O)c1=O
InChIInChI=1S/C8H4Cl2N2O3/c9-3-1-5-6(2-4(3)10)12(15)8(14)7(13)11-5/h1-2,15H,(H,11,13)
InChIKeyHPIBNFQXQQWUPW-UHFFFAOYSA-N
XLogP1.23
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.04
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 6,7-dichloro-4-hydroxy-1H-quinoxaline-2,3-dione?
The IUPAC name of 6,7-dichloro-4-hydroxy-1H-quinoxaline-2,3-dione (CID 10105992) is 6,7-dichloro-4-hydroxy-1H-quinoxaline-2,3-dione.
What is the SMILES notation for 6,7-dichloro-4-hydroxy-1H-quinoxaline-2,3-dione?
The canonical SMILES for 6,7-dichloro-4-hydroxy-1H-quinoxaline-2,3-dione is O=c1[nH]c2cc(Cl)c(Cl)cc2n(O)c1=O.
What is the InChIKey of 6,7-dichloro-4-hydroxy-1H-quinoxaline-2,3-dione?
The InChIKey is HPIBNFQXQQWUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2O3/c9-3-1-5-6(2-4(3)10)12(15)8(14)7(13)11-5/h1-2,15H,(H,11,13).
What are the key properties of 6,7-dichloro-4-hydroxy-1H-quinoxaline-2,3-dione?
6,7-dichloro-4-hydroxy-1H-quinoxaline-2,3-dione has a molecular weight of 247.04 g/mol, XLogP of 1.23, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-4-hydroxy-1H-quinoxaline-2,3-dione is sourced from PubChem (CID 10105992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).