7-Amino-1-cyclohexyl-6-nitro-2,3(1H,4H)-quinoxalinedione
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Basic information
- Standard SMILES
Nc1cc2c(cc1[N+](=O)[O-])[nH]c(=O)c(=O)n2C1CCCCC1- InChIKey
CQJKHENDLIFQDZ-UHFFFAOYSA-N- Molecular formula
- C14H16N4O4
- Average molar mass
- 304.3 g/mol
- Monoisotopic mass
- 304.117155
Names & identifiers
- Preferred name
- 7-Amino-1-cyclohexyl-6-nitro-2,3(1H,4H)-quinoxalinedione
- IUPAC
- 6-amino-4-cyclohexyl-7-nitro-1H-quinoxaline-2,3-dione
Names & synonyms
SCHEMBL8612024CQJKHENDLIFQDZ-UHFFFAOYSA-N7-Amino-1-cyclohexyl-6-nitro-2,3(1H,4H)-quinoxalinedione
Database identifiers
- PubChem CID
- 22097076
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 486
Related reactions
6 records
Compound notes
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