Basic information
- CAS
80884-19-1- Standard SMILES
COc1ccc(CNCc2nc3ccccc3c(=O)n2-c2ccccc2)cc1OC- InChIKey
MWZCEDJQRKRULW-UHFFFAOYSA-N- Molecular formula
- C24H23N3O3
- Average molar mass
- 401.5 g/mol
- Monoisotopic mass
- 401.1739416
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 2-((3,4-dimethoxybenzylamino)methyl)-3-phenyl-
- IUPAC
- 2-[[(3,4-dimethoxyphenyl)methylamino]methyl]-3-phenylquinazolin-4-one
Names & synonyms
BRN 60054254(3H)-Quinazolinone, 2-((3,4-dimethoxybenzylamino)methyl)-3-phenyl-80884-19-1DTXSID302307722-((3,4-Dimethoxybenzylamino)methyl)-3-phenyl-4(3H)-quinazolinoneRefChem:283801DTXCID601532632-({[(3,4-Dimethoxyphenyl)methyl]amino}methyl)-3-phenylquinazolin-4(3H)-one
Database identifiers
- CAS
80884-19-1- PubChem CID
- 63609
- DTXSID
DTXSID30230772- Nikkaji
- J73.078E
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 605
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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