6-Chloro-4-oxo-1-propionyl-1,2,3,4-tetrahydroquinoline
Basic information
- Standard SMILES
CCC(=O)N1CCC(=O)c2cc(Cl)ccc21- InChIKey
BPFYPJFAGOQZNX-UHFFFAOYSA-N- Molecular formula
- C12H12ClNO2
- Average molar mass
- 237.68 g/mol
Names & identifiers
- Preferred name
- 6-Chloro-4-oxo-1-propionyl-1,2,3,4-tetrahydroquinoline
- IUPAC
- 6-chloro-1-propanoyl-2,3-dihydroquinolin-4-one
Names & synonyms
SCHEMBL9535907BPFYPJFAGOQZNX-UHFFFAOYSA-NAKOS0275232006-chloro-4-oxo-1-propionyl-1,2,3,4-tetrahydroquinoline
Database identifiers
- PubChem CID
- 14501422
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 305
Related reactions
6 records
Compound notes
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