General Information of the Compound
Compound ID
CP0432854
Compound Name
8-Cyclobutoxy-quinolin-2-ylamine
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Structure
Formula
C13H14N2O
Molecular Weight
214.268
Canonical SMILES
Nc1ccc2cccc(OC3CCC3)c2n1
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InChI
InChI=1S/C13H14N2O/c14-12-8-7-9-3-1-6-11(13(9)15-12)16-10-4-2-5-10/h1,3,6-8,10H,2,4-5H2,(H2,14,15)
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InChIKey
YLYMSWOMERSHNQ-UHFFFAOYSA-N
Physicochemical Property
logP
2.7483
Rotatable Bonds
2
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: 10443228
SID: 15463727
ChEMBL ID
CHEMBL361902
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 > 2000 nM
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   LI
   LO
   TS