Basic information
- Standard SMILES
Cc1ccc2c(NCC(O)(CC(C)(C)c3cc(F)cc4c3OCC4)C(F)(F)F)ccc(F)c2n1- InChIKey
DKDXJSYCTDHWFW-UHFFFAOYSA-N- Molecular formula
- C25H25F5N2O2
- Average molar mass
- 480.5 g/mol
- Monoisotopic mass
- 480.18361885
Names & identifiers
- Preferred name
- 8-Fluoro-5-[4-(5-Fluoro-2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-2-trifluoromethyl-pentylamino]-2-methylquinoline
- IUPAC
- 1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-[[(8-fluoro-2-methylquinolin-5-yl)amino]methyl]-4-methylpentan-2-ol
Names & synonyms
8-Fluoro-5-[4-(5-Fluoro-2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-2-trifluoromethyl-pentylamino]-2-methylquinolineSCHEMBL291167SCHEMBL31390391
Database identifiers
- PubChem CID
- 11525858
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 707
Related reactions
2 records
Compound notes
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