2-[2-(3-Bromophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4-one
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Basic information
- CAS
361987-73-7- Standard SMILES
O=c1c2ccccc2nc(C=Cc2cccc(Br)c2)n1-c1ccc(O)cc1- InChIKey
XWPFAKLRZIYFKY-UHFFFAOYSA-N- Molecular formula
- C22H15BrN2O2
- Average molar mass
- 419.3 g/mol
- Monoisotopic mass
- 418.03169
Names & identifiers
- Preferred name
- 2-[2-(3-Bromophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4-one
- IUPAC
- 2-[2-(3-bromophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4-one
- English name
- 2-[2-(3-bromophenyl)vinyl]-3-(4-hydroxyphenyl)-4(3H)-quinazolinone
- Molecular formula
- C22H15BrN2O2
- Molecular weight
- 419.27
Names & synonyms
2-[2-(3-bromophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4(3H)-one2-[2-(3-bromophenyl)vinyl]-3-(4-hydroxyphenyl)-4(3H)-quinazolinone4(3H)-Quinazolinone, 2-[2-(3-bromophenyl)ethenyl]-3-(4-hydroxyphenyl)-
Database identifiers
- CAS
361987-73-7- PubChem CID
- 3774458
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 597
Physicochemical properties
- Boiling point
- 615.9 · 615.9±65.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 10.05 · 10.05±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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