Basic information
- Standard SMILES
Cc1nc2ccc(Cl)cc2c(-c2ccc(F)cc2)c1/C=C/C=O- InChIKey
DDOHDNAHOCCFMT-NSCUHMNNSA-N- Molecular formula
- C19H13ClFNO
- Average molar mass
- 325.8 g/mol
- Monoisotopic mass
- 325.0669699
Names & identifiers
- Preferred name
- (E)-3-[6-chloro-4-(4-fluorophenyl)-2-methyl-3-quinolyl]propenal
- IUPAC
- (E)-3-[6-chloro-4-(4-fluorophenyl)-2-methylquinolin-3-yl]prop-2-enal
Names & synonyms
SCHEMBL10658967DDOHDNAHOCCFMT-NSCUHMNNSA-N(E)-3-[6-chloro-4-(4-fluorophenyl)-2-methyl-3-quinolyl]propenal
Database identifiers
- PubChem CID
- 14229331
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 435
Related reactions
1 records
Compound notes
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