6-(2,5-Dimethyl-1-pyrrolyl)-7-chloro-2,3(1H,4H)-quinoxalinedione
Basic information
- Standard SMILES
Cc1ccc(C)n1-c1cc2[nH]c(=O)c(=O)[nH]c2cc1Cl- InChIKey
POHFQZWGNLXEMQ-UHFFFAOYSA-N- Molecular formula
- C14H12ClN3O2
- Average molar mass
- 289.71 g/mol
- Monoisotopic mass
- 289.0618043
Names & identifiers
- Preferred name
- 6-(2,5-Dimethyl-1-pyrrolyl)-7-chloro-2,3(1H,4H)-quinoxalinedione
- IUPAC
- 6-chloro-7-(2,5-dimethylpyrrol-1-yl)-1,4-dihydroquinoxaline-2,3-dione
Names & synonyms
SCHEMBL8611394POHFQZWGNLXEMQ-UHFFFAOYSA-N6-(2,5-Dimethyl-1-pyrrolyl)-7-chloro-2,3(1H,4H)-quinoxalinedione
Database identifiers
- PubChem CID
- 22097073
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 421
Related reactions
2 records
Compound notes
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