Basic information
- CAS
74780-34-0- Standard SMILES
Cc1ccc2nc(C)cc(OC(=O)c3ccccc3N=Cc3ccc(Cl)cc3)c2c1- InChIKey
NXZONNFHVJSZOA-UHFFFAOYSA-N- Molecular formula
- C25H19ClN2O2
- Average molar mass
- 414.9 g/mol
- Monoisotopic mass
- 414.1135055
Names & identifiers
- Preferred name
- 2-(((4-Chlorophenyl)methylene)amino)benzoic acid 2,6-dimethyl-4-quinolinyl ester
- IUPAC
- (2,6-dimethylquinolin-4-yl) 2-[(4-chlorophenyl)methylideneamino]benzoate
Names & synonyms
BRN 45696902-(((4-Chlorophenyl)methylene)amino)benzoic acid 2,6-dimethyl-4-quinolinyl esterBenzoic acid, 2-(((4-chlorophenyl)methylene)amino)-, 2,6-dimethyl-4-quinolinyl ester74780-34-0ZINC13208847
Database identifiers
- CAS
74780-34-0- PubChem CID
- 53113
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 604
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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