5,7-Dichloro-4-(3-trifluoromethylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid ethyl ester

HCID 10136766
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Basic information

Standard SMILES
CCOC(=O)C1CC(c2cccc(C(F)(F)F)c2)c2c(Cl)cc(Cl)cc2N1
InChIKey
LQQMNVPISVMDKK-UHFFFAOYSA-N
Molecular formula
C19H16Cl2F3NO2
Average molar mass
418.2 g/mol

Names & identifiers

Preferred name
5,7-Dichloro-4-(3-trifluoromethylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid ethyl ester
IUPAC
ethyl 5,7-dichloro-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline-2-carboxylate

Names & synonyms

5,7-dichloro-4-(3-trifluoromethylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid ethyl esterSCHEMBL6770056

Database identifiers

PubChem CID
10136766

Properties

Computed structural properties

XLogP
6.2
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
27

Related reactions

1 records
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Compound notes

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