Basic information
- Standard SMILES
CCOP(=O)(Cc1ccc(-c2nc(NC)c3ccccc3n2)cc1)OCC- InChIKey
GPMNGQQJSBQAHU-UHFFFAOYSA-N- Molecular formula
- C20H24N3O3P
- Average molar mass
- 385.4 g/mol
Names & identifiers
- Preferred name
- Diethyl 4-(4-methylaminoquinazolin-2-yl)benzylphosphonate
- IUPAC
- 2-[4-(diethoxyphosphorylmethyl)phenyl]-N-methylquinazolin-4-amine
Names & synonyms
SCHEMBL1085629GPMNGQQJSBQAHU-UHFFFAOYSA-Ndiethyl 4-(4-methylaminoquinazolin-2-yl)benzylphosphonate
Database identifiers
- PubChem CID
- 19957005
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 489
Related reactions
1 records
Compound notes
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