6-Bromo-2-[2-(3,5-dimethoxyphenyl)ethenyl]quinazolin-4(1H)-one
Basic information
- CAS
922189-11-5- Standard SMILES
COc1cc(C=Cc2nc3ccc(Br)cc3c(=O)[nH]2)cc(OC)c1- InChIKey
IQOJJZSYHXKZBH-UHFFFAOYSA-N- Molecular formula
- C18H15BrN2O3
- Average molar mass
- 387.2 g/mol
- Monoisotopic mass
- 386.0266
Names & identifiers
- Preferred name
- 6-Bromo-2-[2-(3,5-dimethoxyphenyl)ethenyl]quinazolin-4(1H)-one
- IUPAC
- 6-bromo-2-[2-(3,5-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one
Names & synonyms
922189-11-5DTXSID408406046-bromo-2-[(1E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,4-dihydroquinazolin-4-one6-Bromo-2-[2-(3,5-dimethoxyphenyl)ethenyl]quinazolin-4(1H)-one6-Bromo-2-[2-(3,5-dimethoxyphenyl)ethen-1-yl]quinazolin-4(1H)-one
Database identifiers
- CAS
922189-11-5- PubChem CID
- 136229094
- DTXSID
DTXSID40840604
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 59.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 510
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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