6-Chloro-2-[2-(3,5-dimethoxyphenyl)ethenyl]quinazolin-4(1H)-one
Basic information
- CAS
922189-09-1- Standard SMILES
COc1cc(C=Cc2nc3ccc(Cl)cc3c(=O)[nH]2)cc(OC)c1- InChIKey
LFHWRDOVAGRTIH-UHFFFAOYSA-N- Molecular formula
- C18H15ClN2O3
- Average molar mass
- 342.8 g/mol
- Monoisotopic mass
- 342.07712
Names & identifiers
- Preferred name
- 6-Chloro-2-[2-(3,5-dimethoxyphenyl)ethenyl]quinazolin-4(1H)-one
- IUPAC
- 6-chloro-2-[2-(3,5-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one
Names & synonyms
DTXSID608406066-chloro-2-[(1E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,4-dihydroquinazolin-4-one6-Chloro-2-[2-(3,5-dimethoxyphenyl)ethenyl]quinazolin-4(1H)-one6-Chloro-2-[2-(3,5-dimethoxyphenyl)ethen-1-yl]quinazolin-4(1H)-one
Database identifiers
- CAS
922189-09-1- PubChem CID
- 136229095
- DTXSID
DTXSID60840606
Properties
Computed structural properties
- XLogP
- 3.3
- 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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