General Information of the Compound
Compound ID
CP0448790
Compound Name
8-(3-Methoxy-3-methyl-butoxy)-quinolin-2-ylamine
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Synonyms
8-(3-Methoxy-3-methyl-butoxy)-quinolin-2-ylamine
CHEMBL361288
SCHEMBL5884407
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Structure
Formula
C15H20N2O2
Molecular Weight
260.337
Canonical SMILES
COC(C)(C)CCOc1cccc2ccc(N)nc12
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InChI
InChI=1S/C15H20N2O2/c1-15(2,18-3)9-10-19-12-6-4-5-11-7-8-13(16)17-14(11)12/h4-8H,9-10H2,1-3H3,(H2,16,17)
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InChIKey
LPHQANHABFNXJD-UHFFFAOYSA-N
Physicochemical Property
logP
3.0109
Rotatable Bonds
5
Heavy Atom Count
19
Polar Areas
57.37
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 10377914
SID: 15392478
ChEMBL ID
CHEMBL361288
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 = 132 nM
   TI
   LI
   LO
   TS
CL000016 IMR-32 Homo sapiens (Human)  1
1
IC50 = 4670 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 8-(3-Methoxy-3-methyl-butoxy)-quinolin-2-ylamine )
Drug Name 8-(3-Methoxy-3-methyl-butoxy)-quinolin-2-ylamine
Target(s)
Melanin-concentrating hormone receptor 1 (MCHR1)
Inhibitor