Basic information
- Standard SMILES
COc1ccc2nc(C(F)(F)F)nc(N3CC(O)C(N4CCN(C(=O)c5ccc(Cl)cc5)CC4)C3)c2c1- InChIKey
FSCDZGNUKKPCEX-UHFFFAOYSA-N- Molecular formula
- C25H25ClF3N5O3
- Average molar mass
- 535.9 g/mol
- Monoisotopic mass
- 535.1598019
Names & identifiers
- Preferred name
- (4-Chlorophenyl)-[4-[4-hydroxy-1-[6-methoxy-2-(trifluoromethyl)quinazolin-4-yl]pyrrolidin-3-yl]piperazin-1-yl]methanone
- IUPAC
- (4-chlorophenyl)-[4-[4-hydroxy-1-[6-methoxy-2-(trifluoromethyl)quinazolin-4-yl]pyrrolidin-3-yl]piperazin-1-yl]methanone
Names & synonyms
SCHEMBL1256173FSCDZGNUKKPCEX-UHFFFAOYSA-N(4-chlorophenyl)-[4-[4-hydroxy-1-[6-methoxy-2-(trifluoromethyl)quinazolin-4-yl]pyrrolidin-3-yl]piperazin-1-yl]methanone
Database identifiers
- PubChem CID
- 66967997
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 794
Related reactions
1 records
Compound notes
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