Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(Cl)cc1CNc1cccc(-c2c(Cc3ccccc3)cnc3c(C(F)(F)F)cccc23)c1- InChIKey
JOBHSBJNSHCBJQ-UHFFFAOYSA-N- Molecular formula
- C30H21ClF3N3O2
- Average molar mass
- 548 g/mol
Names & identifiers
- Preferred name
- {3-[3-Benzyl-8-(Trifluoromethyl)Quinolin-4-yl]Phenyl}(5-Chloro-2-Nitrobenzyl)Amine
- IUPAC
- 3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]-N-[(5-chloro-2-nitrophenyl)methyl]aniline
Names & synonyms
{3-[3-Benzyl-8-(Trifluoromethyl)Quinolin-4-yl]Phenyl}(5-Chloro-2-Nitrobenzyl)AmineSCHEMBL1125624
Database identifiers
- PubChem CID
- 66914218
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 805
Related reactions
2 records
Compound notes
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