Basic information
- Standard SMILES
Br.O=C(CCCCNCCc1ccccc1Cl)c1cc2c3c(c1)CC(=O)N3CCC2- InChIKey
QBPCNQSVXOUPBU-UHFFFAOYSA-N- Molecular formula
- C24H28BrClN2O2
- Average molar mass
- 491.8 g/mol
- Monoisotopic mass
- 490.10227
Names & identifiers
- Preferred name
- 8-(5-{[2-(2-Chlorophenyl)ethyl]amino}pentanoyl)-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2 (1H)-one hydrobromide
- IUPAC
- 6-[5-[2-(2-chlorophenyl)ethylamino]pentanoyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrobromide
Names & synonyms
SCHEMBL4862987QBPCNQSVXOUPBU-UHFFFAOYSA-N8-(5-{[2-(2-Chlorophenyl)ethyl]amino}pentanoyl)-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2 (1H)-one hydrobromide8-(5-{[2-(2-Chlorophenyl)ethyl]amino}pentanoyl)-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one hydrobromide
Database identifiers
- PubChem CID
- 21887855
Properties
Computed structural properties
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 583
Related reactions
3 records
Compound notes
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