Basic information
- Standard SMILES
CC1(C)CCc2nc(CCl)nc(O)c2C1- InChIKey
XVDPJRSAUUSJDI-UHFFFAOYSA-N- Molecular formula
- C11H15ClN2O
- Average molar mass
- 226.7 g/mol
- Monoisotopic mass
- 226.0872908
Names & identifiers
- IUPAC
- 2-(chloromethyl)-6,6-dimethyl-1,5,7,8-tetrahydroquinazolin-4-one
Database identifiers
- PubChem CID
- 66820397
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 369
Related reactions
2 records
Compound notes
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