1,4-Dihydro-6-methoxy-2,3-quinoxalinedione
Basic information
- CAS
31910-18-6- Standard SMILES
COc1ccc2[nH]c(=O)c(=O)[nH]c2c1- InChIKey
CHTYMWBYHAIEOF-UHFFFAOYSA-N- Molecular formula
- C9H8N2O3
- Average molar mass
- 192.17 g/mol
- Monoisotopic mass
- 192.05349212
Overview
See also: 6-Methoxy-1,4-dihydro-quinoxaline-2,3-dione (annotation moved to).
Names & identifiers
- Preferred name
- 1,4-Dihydro-6-methoxy-2,3-quinoxalinedione
- IUPAC
- 6-methoxy-1,4-dihydroquinoxaline-2,3-dione
- English name
- 2,3-Dihydroxy-6-methoxyquinoxaline
- Molecular formula
- C9H8N2O3
- Molecular weight
- 192.17
Names & synonyms
1,4-Dihydro-6-Methoxy-2,3-QuinoxalinedioneRefChem:4167866-methoxyquinoxaline-2,3-diol31910-18-66-methoxy-1,4-dihydroquinoxaline-2,3-dione2,3-Dihydroxy-6-methoxyquinoxaline6-methoxyquinoxaline-2,3(1H,4H)-dioneMFCD018252483-Hydroxy-7-methoxy-1H-quinoxalin-2-one2,3-Quinoxalinedione, 1,4-dihydro-6-methoxy-6-methoxy-1,2,3,4-tetrahydroquinoxaline-2,3-dioneMFCD00461062
Show more names
ZERENEX E/6026569TIMTEC-BB SBB0003042,3-Dihydoxy-6-methoxyquinoxaline6-Methoxy-1,4-dihydro-quinoxaline-2,3-dione6-methoxy-1,4-dihydroquinoxaline-2,3-quinone
3-Hydroxy-6-methoxy-1H-quinoxalin-2-one4-(Diphenylmethylene)piperidine 2,2,2-Trifluoroacetate6-Methoxy-quinoxaline-2,3-diolOprea1_094318SCHEMBL1160711SCHEMBL12677211SCHEMBL30717269SCHEMBL30717270
Database identifiers
- CAS
31910-18-6- PubChem CID
- 698550
- DTXSID
DTXSID50351372
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Melting point
- 350 °C · 350 °C
- Density
- 1.322 · 1.322±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 9.97 · 9.97±0.20(Predicted)
- Hazard Codes
- Xi
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
Chemistry & industry
Applications
Uses6-Methoxyquinoxaline-2,3-diol acts as a reagent in the discovery of MK-5172 (M424985), a macrocyclic analog as an antiviral protease inhibitor.
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Related reactions
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Compound notes
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