Basic information
- Standard SMILES
COc1cc2nc(N3CCc4c(CBr)cccc4C3)[nH]c(=O)c2cc1OC- InChIKey
JBEGYNNKBMFJSG-UHFFFAOYSA-N- Molecular formula
- C20H20BrN3O3
- Average molar mass
- 430.3 g/mol
Names & identifiers
- Preferred name
- 2-(5-bromomethyl-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxy-3H-quinazolin-4-one
- IUPAC
- 2-[5-(bromomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-6,7-dimethoxy-3H-quinazolin-4-one
Names & synonyms
SCHEMBL5880476JBEGYNNKBMFJSG-UHFFFAOYSA-N2-(5-bromomethyl-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxy-3H-quinazolin-4-one
Database identifiers
- PubChem CID
- 136347700
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 587
Related reactions
6 records
Compound notes
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