3-(3-Benzyl-8-trifluoromethyl-quinolin-4-yl)-phenylamine

HCID 11234297

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1cccc(-c2c(Cc3ccccc3)cnc3c(C(F)(F)F)cccc23)c1
InChIKey: BFUNVDZECPFRBY-UHFFFAOYSA-N
Molecular formula: C23H17F3N2
Average molar mass: 378.4 g/mol

Names & identifiers

Preferred name: 3-(3-Benzyl-8-trifluoromethyl-quinolin-4-yl)-phenylamine
IUPAC: 3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]aniline

Names & synonyms

3-(3-benzyl-8-trifluoromethyl-quinolin-4-yl)-phenylamine[3-(3-Benzyl-8-(trifluoromethyl)quinolin-4-yl]phenyl}amine{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenyl}amineSCHEMBL1124687

Database identifiers

PubChem CID: 11234297

Properties

Computed structural properties

XLogP: 5.9
Topological polar surface area: 38.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 28
Formal charge: 0
Complexity: 503

Related reactions

262 records

New reaction record

HRID 88544As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 91308As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 95113As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 101485As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 101639As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 108945As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 112924As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 119449As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

Loading…