Diethyl(4-{[7-(trifluoromethyl)(4-quinolyl)]amino}pentyl)amine

HCID 224869

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Basic information

CAS: 442-85-3
Standard SMILES: CCN(CC)CCCC(C)Nc1ccnc2cc(C(F)(F)F)ccc12
InChIKey: HIWSRDNBRUFDDW-UHFFFAOYSA-N
Molecular formula: C19H26F3N3
Average molar mass: 353.4 g/mol
Monoisotopic mass: 353.20788233

Names & identifiers

Preferred name: Diethyl(4-{[7-(trifluoromethyl)(4-quinolyl)]amino}pentyl)amine
IUPAC: 1-N,1-N-diethyl-4-N-[7-(trifluoromethyl)quinolin-4-yl]pentane-1,4-diamine

Names & synonyms

Diethyl(4-{[7-(trifluoromethyl)(4-quinolyl)]amino}pentyl)amineNSC13716442-85-3CHEMBL144539HIWSRDNBRUFDDW-UHFFFAOYSA-NNSC-13716DS-011774N,n-diethyl-n-[7-(trifluoromethyl)quinolin-4-yl]pentane-1,4-diamineN1,N1-diethyl-N4-[7-(trifluoromethyl)-4-quinolyl]pentane-1,4-diamine

Database identifiers

CAS: 442-85-3
PubChem CID: 224869
ChEMBL: CHEMBL144539
Nikkaji: J1.045.605C

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 28.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 25
Formal charge: 0
Complexity: 385

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