Basic information
- Standard SMILES
O=C1CCc2cc(C(=O)N3CCN(CCC(=O)c4ccc(Cl)cc4)CC3)ccc2N1- InChIKey
ZGTLKUOLCFYFSQ-UHFFFAOYSA-N- Molecular formula
- C23H24ClN3O3
- Average molar mass
- 425.9 g/mol
Names & identifiers
- Preferred name
- 6-{4-[2-(4-Chlorobenzoyl)ethyl]-1-piperazinylcarbonyl}-3,4-dihydrocarbostyril
- IUPAC
- 6-[4-[3-(4-chlorophenyl)-3-oxopropyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
Names & synonyms
SCHEMBL7286669ZGTLKUOLCFYFSQ-UHFFFAOYSA-N6-{4-[2-(4-chlorobenzoyl)ethyl]-1-piperazinylcarbonyl}-3,4-dihydrocarbostyril
Database identifiers
- PubChem CID
- 14099783
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 642
Related reactions
3 records
Compound notes
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