Basic information
- Standard SMILES
COc1cc2c(SC)ncnc2cc1C=CCO- InChIKey
FTZAEVLXBQVJHS-UHFFFAOYSA-N- Molecular formula
- C13H14N2O2S
- Average molar mass
- 262.33 g/mol
- Monoisotopic mass
- 262.07759887
Names & identifiers
- Preferred name
- 4-(Methylthio)-6-methoxy-7-(3-hydroxyprop-1-enyl)quinazoline
- IUPAC
- 3-(6-methoxy-4-methylsulfanylquinazolin-7-yl)prop-2-en-1-ol
Names & synonyms
SCHEMBL3531923FTZAEVLXBQVJHS-UHFFFAOYSA-N4-(methylthio)-6-methoxy-7-(3-hydroxyprop-1-enyl)quinazoline
Database identifiers
- PubChem CID
- 68679059
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 80.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 288
Related reactions
2 records
Compound notes
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