Basic information
- Standard SMILES
Cc1onc2c1c(=O)n(C1CCCN(C(=O)NCc3ccccc3)C1)c1cccc(Cl)c21- InChIKey
QYCMQWPLYUUSDF-UHFFFAOYSA-N- Molecular formula
- C24H23ClN4O3
- Average molar mass
- 450.9 g/mol
Names & identifiers
- Preferred name
- 3-(9-Chloro-3-methyl-4-oxo-5H-isoxazolo[4,3-c]quinolin-5-yl)-piperidine-1-carboxylic acid benzylamide
- IUPAC
- N-benzyl-3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)piperidine-1-carboxamide
Names & synonyms
SCHEMBL6067957QYCMQWPLYUUSDF-UHFFFAOYSA-N3-(9-Chloro-3-methyl-4-oxo-5H-isoxazolo[4,3-c]quinolin-5-yl)-piperidine-1-carboxylic acid benzylamide
Database identifiers
- PubChem CID
- 69652415
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 78.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 703
Related reactions
2 records
Compound notes
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