Basic information
- Standard SMILES
O=C(Cc1ccccc1)N1CCCC2=C1CCc1cc(Cl)ccc12- InChIKey
XYWWFYSQXKHWRA-UHFFFAOYSA-N- Molecular formula
- C21H20ClNO
- Average molar mass
- 337.8 g/mol
- Monoisotopic mass
- 337.123342
Names & identifiers
- Preferred name
- 8-Chloro-4-(phenylacetyl)-1,2,3,4,5,6-hexahydrobenzo[f]quinoline
- IUPAC
- 1-(8-chloro-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)-2-phenylethanone
Names & synonyms
SCHEMBL9822427XYWWFYSQXKHWRA-UHFFFAOYSA-N8-chloro-4-(phenylacetyl)-1,2,3,4,5,6-hexahydrobenzo[f]quinoline
Database identifiers
- PubChem CID
- 22165488
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 508
Related reactions
5 records
Compound notes
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