General Information of the Compound
Compound ID
CP0444558
Compound Name
8-chloro-2-methyl-N-propan-2-ylquinolin-4-amine
    Show/Hide
Formula
C13H15ClN2
Molecular Weight
234.73
Canonical SMILES
CC(C)Nc1cc(C)nc2c(Cl)cccc12
    Show/Hide
InChI
InChI=1S/C13H15ClN2/c1-8(2)15-12-7-9(3)16-13-10(12)5-4-6-11(13)14/h4-8H,1-3H3,(H,15,16)
    Show/Hide
InChIKey
IAMQWPAISKORLN-UHFFFAOYSA-N
Physicochemical Property
logP
4.01692
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
24.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
16

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
ChEMBL ID
CHEMBL4869074
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT05155, Nuclear receptor subfamily 4 group A member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 = 31000 nM
   TI
   LI
   LO
   TS