Basic information
- Standard SMILES
Cc1onc2c1c(=O)n(C1CCCN(CC(O)Cc3ccccc3)C1)c1cccc(Cl)c21- InChIKey
YTVCFCNQUMYOID-UHFFFAOYSA-N- Molecular formula
- C25H26ClN3O3
- Average molar mass
- 451.9 g/mol
Names & identifiers
- Preferred name
- 9-Chloro-5-[1-(2-hydroxy-3-phenyl-propyl)-piperidin-3-yl]-3-methyl-5H-isoxazolo[4,3-c]quinolin-4-one
- IUPAC
- 9-chloro-5-[1-(2-hydroxy-3-phenylpropyl)piperidin-3-yl]-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one
Names & synonyms
SCHEMBL6068075YTVCFCNQUMYOID-UHFFFAOYSA-N9-Chloro-5-[1-(2-hydroxy-3-phenyl-propyl)-piperidin-3-yl]-3-methyl-5H-isoxazolo[4,3-c]quinolin-4-one
Database identifiers
- PubChem CID
- 21963726
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 69.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 660
Related reactions
2 records
Compound notes
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