Basic information
- CAS
83408-60-0- Standard SMILES
Nc1ccc(-n2c(-c3ccc(N=Cc4ccc(Cl)cc4)cc3)nc3ccccc3c2=O)cc1- InChIKey
ROKRSNYWNPHSMV-UHFFFAOYSA-N- Molecular formula
- C27H19ClN4O
- Average molar mass
- 450.9 g/mol
- Monoisotopic mass
- 450.1247389
Names & identifiers
- Preferred name
- 3-(4-Aminophenyl)-2-(4-(((4-chlorophenyl)methylene)amino)phenyl)-4(3H)-quinazolinone
- IUPAC
- 3-(4-aminophenyl)-2-[4-[(4-chlorophenyl)methylideneamino]phenyl]quinazolin-4-one
Names & synonyms
BRN 45867683-(4-Aminophenyl)-2-(4-(((4-chlorophenyl)methylene)amino)phenyl)-4(3H)-quinazolinone4(3H)-Quinazolinone, 3-(4-aminophenyl)-2-(4-(((4-chlorophenyl)methylene)amino)phenyl)-83408-60-0
Database identifiers
- CAS
83408-60-0- PubChem CID
- 63294
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 730
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…