CHEBI:141487 - N4-{2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl}pentane-1,4-diamine

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ChEBI Name N4-{2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl}pentane-1,4-diamine
ChEBI ID CHEBI:141487
ChEBI ASCII Name N(4)-{2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl}pentane-1,4-diamine
Definition An aminoquinoline that is 8-aminoquinoline which is substituted by methoxy groups at positions 2 and 6, a methyl group at position 4, and a m-(trifluoromethyl)phenoxy group at position 5, and in which the amino substituent at position 8 is itself substituted by a 5-aminopentan-2-yl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C24H28F3N3O3
Net Charge 0
Average Mass 463.494
Monoisotopic Mass 463.20828
InChI InChI=1S/C24H28F3N3O3/c1-14-11-20(32-4)30-22-18(29-15(2)7-6-10-28)13-19(31-3)23(21(14)22)33-17-9-5-8-16(12-17)24(25,26)27/h5,8-9,11-13,15,29H,6-7,10,28H2,1-4H3
InChIKey LBHLFPGPEGDCJG-UHFFFAOYSA-N
SMILES O(C1=C2C(=C(C=C1OC)NC(CCCN)C)N=C(C=C2C)OC)C3=CC(C(F)(F)F)=CC=C3
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N4-{2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl}pentane-1,4-diamine (CHEBI:141487) is a (trifluoromethyl)benzenes (CHEBI:83565)
N4-{2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl}pentane-1,4-diamine (CHEBI:141487) is a aminoquinoline (CHEBI:36709)
N4-{2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl}pentane-1,4-diamine (CHEBI:141487) is a aromatic ether (CHEBI:35618)
N4-{2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl}pentane-1,4-diamine (CHEBI:141487) is a primary amino compound (CHEBI:50994)
N4-{2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl}pentane-1,4-diamine (CHEBI:141487) is a secondary amino compound (CHEBI:50995)
Incoming (R)-tafenoquine (CHEBI:141488) is a N4-{2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl}pentane-1,4-diamine (CHEBI:141487)
(S)-tafenoquine (CHEBI:141489) is a N4-{2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl}pentane-1,4-diamine (CHEBI:141487)
IUPAC Name
N4-{2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl}pentane-1,4-diamine
Last Modified
23 July 2018
General Comment
2018-07-23 Note that this is the entry for material with unspecified stereochemistry. There are separate entries for the individual enantiomers and for the racemate [(R)-tafenoquine, (S)-tafenoquine, and tefenoquine, respectively].