Basic information
- CAS
74767-16-1- Standard SMILES
CC(=O)Nc1ccc(C=Nc2ccccc2C(=O)Oc2cc(C)nc3ccc(Cl)cc23)cc1- InChIKey
QDBTZOQFULZLSH-UHFFFAOYSA-N- Molecular formula
- C26H20ClN3O3
- Average molar mass
- 457.9 g/mol
- Monoisotopic mass
- 457.1193192
Names & identifiers
- Preferred name
- 2-(((4-(Acetylamino)phenyl)methylene)amino)benzoic acid 6-chloro-2-methyl-4-quinolinyl ester
- IUPAC
- (6-chloro-2-methylquinolin-4-yl) 2-[(4-acetamidophenyl)methylideneamino]benzoate
Names & synonyms
BRN 45972212-(((4-(Acetylamino)phenyl)methylene)amino)benzoic acid 6-chloro-2-methyl-4-quinolinyl ester74767-16-1Benzoic acid, 2-(((4-(acetylamino)phenyl)methylene)amino)-, 6-chloro-2-methyl-4-quinolinyl ester
Database identifiers
- CAS
74767-16-1- PubChem CID
- 53111
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 709
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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