Basic information
- Standard SMILES
COCCn1c(SC)nc2c(I)cccc2c1=O- InChIKey
VQVNWOZUUZGMLP-UHFFFAOYSA-N- Molecular formula
- C12H13IN2O2S
- Average molar mass
- 376.22 g/mol
Names & identifiers
- Preferred name
- 8-iodo-3-(2-methoxyethyl)-2-(methylthio)quinazolin-4(3H)-one
- IUPAC
- 8-iodo-3-(2-methoxyethyl)-2-methylsulfanylquinazolin-4-one
Names & synonyms
SCHEMBL15228598VQVNWOZUUZGMLP-UHFFFAOYSA-N8-iodo-3-(2-methoxyethyl)-2-(methylthio)quinazolin-4(3H)-one
Database identifiers
- PubChem CID
- 89781985
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 351
Related reactions
2 records
Compound notes
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