6,7-dihydroxy-1,4-dihydroquinoxaline-2,3-dione

C8H6N2O4 — CID 10774166

IUPAC6,7-dihydroxy-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(O)c(O)cc2[nH]c1=O
InChIInChI=1S/C8H6N2O4/c11-5-1-3-4(2-6(5)12)10-8(14)7(13)9-3/h1-2,11-12H,(H,9,13)(H,10,14)
InChIKeyCVFAZLHMMROFKQ-UHFFFAOYSA-N
MW194.15 g/mol
LogP-0.37
Rot. Bonds

About 6,7-dihydroxy-1,4-dihydroquinoxaline-2,3-dione

6,7-dihydroxy-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 10774166) has the molecular formula C8H6N2O4 and a molecular weight of 194.15 g/mol. Its IUPAC name is 6,7-dihydroxy-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6,7-dihydroxy-1,4-dihydroquinoxaline-2,3-dione
PubChem CID10774166
Molecular FormulaC8H6N2O4
Molecular Weight194.15 g/mol
Exact Mass194.03
IUPAC Name6,7-dihydroxy-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(O)c(O)cc2[nH]c1=O
InChIInChI=1S/C8H6N2O4/c11-5-1-3-4(2-6(5)12)10-8(14)7(13)9-3/h1-2,11-12H,(H,9,13)(H,10,14)
InChIKeyCVFAZLHMMROFKQ-UHFFFAOYSA-N
XLogP-0.37
TPSA106.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-Hydroxyacetaminophen
CID 161950
2,3-Dihydroxy-6,7-dimethoxyquinoxaline
CID 613780
2-anilino-N-(3,4-dihydroxyphenyl)acetamide
CID 122189951
6-Hydroxy-1,2,3,4-tetrahydroquinoxalin-2-one
CID 83480453
9-Hydroxy-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one
CID 44302836
5-Hydroxy-1,4-dihydroquinoxaline-2,3-dione
CID 45121614
tert-butyl 7-hydroxy-3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxylate
CID 129951114
Quinoxaline-2,3,6-triol
CID 12287535
Acetamide,4-dihydroxyphenyl)-, monoacetate (ester)
CID 429315
4-Cyclohexyl-7-hydroxy-1,3-dihydroquinoxalin-2-one
CID 122662116
3,4-Dihydroxyoxanilic acid
CID 129690032
N-(3,4-Dihydroxyphenyl)-2,2,2-trifluoroacetamide
CID 165348119

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydroxy-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6,7-dihydroxy-1,4-dihydroquinoxaline-2,3-dione (CID 10774166) is 6,7-dihydroxy-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6,7-dihydroxy-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6,7-dihydroxy-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2cc(O)c(O)cc2[nH]c1=O.
What is the InChIKey of 6,7-dihydroxy-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is CVFAZLHMMROFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O4/c11-5-1-3-4(2-6(5)12)10-8(14)7(13)9-3/h1-2,11-12H,(H,9,13)(H,10,14).
What are the key properties of 6,7-dihydroxy-1,4-dihydroquinoxaline-2,3-dione?
6,7-dihydroxy-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 194.15 g/mol, XLogP of -0.37, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydroxy-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 10774166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).