General Information of the Compound
Compound ID
CP0548903
Compound Name
8-(2-Methoxy-1-methyl-ethoxy)-quinolin-2-ylamine
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Synonyms
8-(2-Methoxy-1-methyl-ethoxy)-quinolin-2-ylamine
CHEMBL363011
SCHEMBL5884451
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Structure
Formula
C13H16N2O2
Molecular Weight
232.283
Canonical SMILES
COCC(C)Oc1cccc2ccc(N)nc12
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InChI
InChI=1S/C13H16N2O2/c1-9(8-16-2)17-11-5-3-4-10-6-7-12(14)15-13(10)11/h3-7,9H,8H2,1-2H3,(H2,14,15)
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InChIKey
HFVYCRXMQPWHFZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.2307
Rotatable Bonds
4
Heavy Atom Count
17
Polar Areas
57.37
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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).

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PubChem ID
CID: 10466478
SID: 15489143
ChEMBL ID
CHEMBL363011
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 = 606 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 8-(2-Methoxy-1-methyl-ethoxy)-quinolin-2-ylamine )
Drug Name 8-(2-Methoxy-1-methyl-ethoxy)-quinolin-2-ylamine
Target(s)
Melanin-concentrating hormone receptor 1 (MCHR1)
Inhibitor