2-[2-(3,5-Dimethoxyphenyl)ethenyl]-6-iodoquinazolin-4(1H)-one
Basic information
- CAS
922189-13-7- Standard SMILES
COc1cc(C=Cc2nc3ccc(I)cc3c(=O)[nH]2)cc(OC)c1- InChIKey
LWJPSFASAIYONO-UHFFFAOYSA-N- Molecular formula
- C18H15IN2O3
- Average molar mass
- 434.2 g/mol
- Monoisotopic mass
- 434.01274
Names & identifiers
- Preferred name
- 2-[2-(3,5-Dimethoxyphenyl)ethenyl]-6-iodoquinazolin-4(1H)-one
- IUPAC
- 2-[2-(3,5-dimethoxyphenyl)ethenyl]-6-iodo-3H-quinazolin-4-one
Names & synonyms
922189-13-7DTXSID208406022-[(1E)-2-(3,5-dimethoxyphenyl)ethenyl]-6-iodo-3,4-dihydroquinazolin-4-one2-[2-(3,5-Dimethoxyphenyl)ethen-1-yl]-6-iodoquinazolin-4(1H)-one2-[2-(3,5-Dimethoxyphenyl)ethenyl]-6-iodoquinazolin-4(1H)-one
Database identifiers
- CAS
922189-13-7- PubChem CID
- 136229093
- DTXSID
DTXSID20840602
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
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