Basic information
- CAS
83408-51-9- Standard SMILES
O=c1c2ccccc2nc(-c2ccc(N=Cc3ccccc3)cc2)n1-c1ccc([N+](=O)[O-])cc1- InChIKey
MMNLOBLNEVPXOC-UHFFFAOYSA-N- Molecular formula
- C27H18N4O3
- Average molar mass
- 446.5 g/mol
- Monoisotopic mass
- 446.13789045
Names & identifiers
- Preferred name
- 3-(4-Nitrophenyl)-2-(4-((phenylmethylene)amino)phenyl)-4(3H)-quinazolinone
- IUPAC
- 2-[4-(benzylideneamino)phenyl]-3-(4-nitrophenyl)quinazolin-4-one
Names & synonyms
BRN 45924253-(4-Nitrophenyl)-2-(4-((phenylmethylene)amino)phenyl)-4(3H)-quinazolinone4(3H)-Quinazolinone, 3-(4-nitrophenyl)-2-(4-((phenylmethylene)amino)phenyl)-83408-51-9
Database identifiers
- CAS
83408-51-9- PubChem CID
- 63174
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 784
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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