Basic information
- CAS
83408-55-3- Standard SMILES
O=c1c2ccccc2nc(-c2ccc(N=Cc3ccc(Cl)cc3)cc2)n1-c1ccc(Cl)c([N+](=O)[O-])c1- InChIKey
SNQAZGDFFDENAH-UHFFFAOYSA-N- Molecular formula
- C27H16Cl2N4O3
- Average molar mass
- 515.3 g/mol
- Monoisotopic mass
- 514.0599458
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(4-chloro-3-nitrophenyl)-2-(4-(((4-chlorophenyl)methylene)amino)phenyl)-
- IUPAC
- 3-(4-chloro-3-nitrophenyl)-2-[4-[(4-chlorophenyl)methylideneamino]phenyl]quinazolin-4-one
Names & synonyms
BRN 46084984(3H)-Quinazolinone, 3-(4-chloro-3-nitrophenyl)-2-(4-(((4-chlorophenyl)methylene)amino)phenyl)-83408-55-3
Database identifiers
- CAS
83408-55-3- PubChem CID
- 63293
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 862
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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