General Information of the Compound
Compound ID
CP0392516
Compound Name
8-Hexyloxy-quinolin-2-ylamine
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Synonyms
8-Hexyloxy-quinolin-2-ylamine
CHEMBL187295
SCHEMBL5884086
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Structure
Formula
C15H20N2O
Molecular Weight
244.338
Canonical SMILES
CCCCCCOc1cccc2ccc(N)nc12
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InChI
InChI=1S/C15H20N2O/c1-2-3-4-5-11-18-13-8-6-7-12-9-10-14(16)17-15(12)13/h6-10H,2-5,11H2,1H3,(H2,16,17)
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InChIKey
SBZZEIZRHJBKKE-UHFFFAOYSA-N
Physicochemical Property
logP
3.7761
Rotatable Bonds
6
Heavy Atom Count
18
Polar Areas
48.14
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
18

"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: 10421932
SID: 15440456
ChEMBL ID
CHEMBL187295
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 = 818 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 8-Hexyloxy-quinolin-2-ylamine )
Drug Name 8-Hexyloxy-quinolin-2-ylamine
Target(s)
Melanin-concentrating hormone receptor 1 (MCHR1)
Inhibitor