Basic information
- Standard SMILES
COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cccc2nc(NC(C)=O)ccc12)C(F)(F)F- InChIKey
MZPSQAFULOOFHW-UHFFFAOYSA-N- Molecular formula
- C25H27F4N3O3
- Average molar mass
- 493.5 g/mol
Names & identifiers
- Preferred name
- 1-(2-Acetylaminoquinolin-5-ylamino)-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentan-2-ol
- IUPAC
- N-[5-[[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]quinolin-2-yl]acetamide
Names & synonyms
1-(2-Acetylaminoquinolin-5-ylamino)-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentan-2-olSCHEMBL4818153
Database identifiers
- PubChem CID
- 21948871
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 723
Related reactions
7 records
Compound notes
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