General Information of the Compound
Compound ID
CP0550896
Compound Name
8-(1,2-Dimethyl-propoxy)-quinolin-2-ylamine
    Show/Hide
Synonyms
8-(1,2-Dimethyl-propoxy)-quinolin-2-ylamine
CHEMBL185095
SCHEMBL5883706
    Show/Hide
Structure
Formula
C14H18N2O
Molecular Weight
230.311
Canonical SMILES
CC(C)C(C)Oc1cccc2ccc(N)nc12
    Show/Hide
InChI
InChI=1S/C14H18N2O/c1-9(2)10(3)17-12-6-4-5-11-7-8-13(15)16-14(11)12/h4-10H,1-3H3,(H2,15,16)
    Show/Hide
InChIKey
UQTSQIVXJFEZMJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.2403
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
48.14
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
17

"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: 10466406
SID: 15489063
ChEMBL ID
CHEMBL185095
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 = 199 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 8-(1,2-Dimethyl-propoxy)-quinolin-2-ylamine )
Drug Name 8-(1,2-Dimethyl-propoxy)-quinolin-2-ylamine
Target(s)
Melanin-concentrating hormone receptor 1 (MCHR1)
Inhibitor