General Information of the Compound
Compound ID
CP0439387
Compound Name
8-Butoxy-quinolin-2-ylamine
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Synonyms
8-Butoxy-quinolin-2-ylamine
CHEMBL186659
SCHEMBL5884456
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Structure
Formula
C13H16N2O
Molecular Weight
216.284
Canonical SMILES
CCCCOc1cccc2ccc(N)nc12
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InChI
InChI=1S/C13H16N2O/c1-2-3-9-16-11-6-4-5-10-7-8-12(14)15-13(10)11/h4-8H,2-3,9H2,1H3,(H2,14,15)
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InChIKey
RANHBKGFWNIVKN-UHFFFAOYSA-N
Physicochemical Property
logP
2.9959
Rotatable Bonds
4
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).

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PubChem ID
CID: 10443307
SID: 15463822
ChEMBL ID
CHEMBL186659
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 = 789 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 8-Butoxy-quinolin-2-ylamine )
Drug Name 8-Butoxy-quinolin-2-ylamine
Target(s)
Melanin-concentrating hormone receptor 1 (MCHR1)
Inhibitor