2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
Basic information
- CAS
488726-77-8- Standard SMILES
O=c1c2ccccc2nc(/C=C/c2ccc(F)cc2)n1-c1ccccc1O- InChIKey
ZYAYWQNOEOMRMJ-SDNWHVSQSA-N- Molecular formula
- C22H15FN2O2
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.11175589
Names & identifiers
- Preferred name
- 2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
- IUPAC
- 2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
Names & synonyms
488726-77-82-[(E)-2-(4-fluorophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4(3H)-oneMLS001164730CHEMBL1451971DTXSID001326823HMS2883M19STK841155AKOS005625154SMR000539850(E)-2-(4-fluorostyryl)-3-(2-hydroxyphenyl)quinazolin-4(3H)-one
Database identifiers
- CAS
488726-77-8- PubChem CID
- 5733482
- DTXSID
DTXSID001326823- ChEMBL
CHEMBL1451971
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 597
Experimental & physicochemical properties
Solubility5.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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