General Information of the Compound
Compound ID
CP0392510
Compound Name
8-Isobutoxy-quinolin-2-ylamine
    Show/Hide
Structure
Formula
C13H16N2O
Molecular Weight
216.284
Canonical SMILES
CC(C)COc1cccc2ccc(N)nc12
    Show/Hide
InChI
InChI=1S/C13H16N2O/c1-9(2)8-16-11-5-3-4-10-6-7-12(14)15-13(10)11/h3-7,9H,8H2,1-2H3,(H2,14,15)
    Show/Hide
InChIKey
MSMWHUFWYBBGPX-UHFFFAOYSA-N
Physicochemical Property
logP
2.8518
Rotatable Bonds
3
Heavy Atom Count
16
Polar Areas
48.14
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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
PubChem ID
CID: 10036257
SID: 15018513
ChEMBL ID
CHEMBL181798
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: PT01027, Melanin-concentrating hormone receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000863 I3.4.2 Homo sapiens (Human)  1
1
IC50 > 2000 nM
   TI
   LI
   LO
   TS