Basic information
- Standard SMILES
O=C(c1ccc2[nH]c(=O)cnc2c1)N1CCC[C@@H]2c3ccccc3C[C@@H]21- InChIKey
QMZSALACIBOFIO-APWZRJJASA-N- Molecular formula
- C21H19N3O2
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.14772686
Names & identifiers
- Preferred name
- 6-(cis-2,3,4,4a,9,9a-Hexahydro-indeno[2,1-b]pyridine-1-carbonyl)-1H-quinoxalin-2-one
- IUPAC
- 6-[(4aR,9aS)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridine-1-carbonyl]-1H-quinoxalin-2-one
Names & synonyms
SCHEMBL1952265QMZSALACIBOFIO-APWZRJJASA-N6-(cis-2,3,4,4a,9,9a-Hexahydro-indeno[2,1-b]pyridine-1-carbonyl)-1H-quinoxalin-2-one
Database identifiers
- PubChem CID
- 67224239
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 618
Related reactions
4 records
Compound notes
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