Basic information
- Standard SMILES
CCOC(=O)C1CC(c2ccc(F)cc2)c2c(Cl)cc(Cl)cc2N1- InChIKey
AREYRYLEVMIOLM-UHFFFAOYSA-N- Molecular formula
- C18H16Cl2FNO2
- Average molar mass
- 368.2 g/mol
- Monoisotopic mass
- 367.0542123
Names & identifiers
- Preferred name
- 5,7-Dichloro-4-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid ethyl ester
- IUPAC
- ethyl 5,7-dichloro-4-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylate
Names & synonyms
SCHEMBL6770317AREYRYLEVMIOLM-UHFFFAOYSA-N5,7-dichloro-4-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 10177041
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 445
Related reactions
1 records
Compound notes
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