General Information of the Compound
Compound ID
CP0406657
Compound Name
3-(2-methoxyquinolin-8-yl)-N-methylpropanamide
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Structure
Formula
C14H16N2O2
Molecular Weight
244.294
Canonical SMILES
CNC(=O)CCc1cccc2ccc(OC)nc12
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InChI
InChI=1S/C14H16N2O2/c1-15-12(17)8-6-10-4-3-5-11-7-9-13(18-2)16-14(10)11/h3-5,7,9H,6,8H2,1-2H3,(H,15,17)
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InChIKey
DNWBHMKBAOQMBM-UHFFFAOYSA-N
Physicochemical Property
logP
1.922
Rotatable Bonds
4
Heavy Atom Count
18
Polar Areas
51.22
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: 137650611
ChEMBL ID
CHEMBL4079784
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: PT01843, Melatonin receptor type 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 65 nM
   TI
   LI
   LO
   TS
Protein ID: PT02174, Melatonin receptor type 1B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 0.7 nM
   TI
   LI
   LO
   TS