Topological Features in Profiling the Antimalarial Activity Landscape of Anilinoquinolines: A Multipronged QSAR Study

Table 1

The variations in substitution positions of anilinoquinolines (Figure 1(b)).

Comp no.	R1^a	R2	R3
1	R′′	–CH2OH	H
2–19	–NHC(O)–(CH2)𝑛–NRR′	–CH2OH	H
20–31	–NHC(O)–CH2–N(CH2)5	–CH2–OC(O)–(CH2)𝑛–R′′	H
32	–NHC(O)–CH2–N(CH2)5	R′′	H
33–61	–NHC(O)–CH2–N(CH2)5	–CH2–R′′	H
62	R′′	–CH2NEt2	–OH
63	R′′	H	–OH
64–67	R′′	–CH2NEt2	H
68–73	–NHC(O)–CH2–N(CH2)5	–CH2–OC(O)–(CH2)𝑛–R′′	H
74–80	–NHC(O)–CH2–N(CH2)5	–CH2–OC(O)–NH–(CH2)𝑛–R′′	H
81–90	–NHC(O)–CH2–N(CH2)5	–C(O)NRR′	H

^aThe NRR′ and R′′ in R₁/R₂ groups represent the extended structural moieties (functionalized alkyl, aryl, and other functional units) attached to (in place of) them.