Basic information
- Standard SMILES
Cc1ccc2c(N3CCN(C(=O)C(O)CC(C)(C)C)CC3)nc(-c3c(O)cccc3F)nc2c1- InChIKey
QAOVBBICVYRJGT-UHFFFAOYSA-N- Molecular formula
- C26H31FN4O3
- Average molar mass
- 466.5 g/mol
- Monoisotopic mass
- 466.23801903
Names & identifiers
- Preferred name
- 1-[4-[2-(2-Fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one
- IUPAC
- 1-[4-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one
Names & synonyms
SCHEMBL1623851
Database identifiers
- PubChem CID
- 136366708
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 696
Related reactions
1 records
Compound notes
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