General Information of the Compound
Compound ID
CP0399622
Compound Name
1-(2-ethoxyethyl)-8-methoxy-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide
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Structure
Formula
C23H26N2O4
Molecular Weight
394.471
Canonical SMILES
CCOCCn1cc(C(=O)NCCc2ccccc2)c(=O)c2cccc(OC)c12
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InChI
InChI=1S/C23H26N2O4/c1-3-29-15-14-25-16-19(22(26)18-10-7-11-20(28-2)21(18)25)23(27)24-13-12-17-8-5-4-6-9-17/h4-11,16H,3,12-15H2,1-2H3,(H,24,27)
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InChIKey
QKCBUMJCRHUCAH-UHFFFAOYSA-N
Physicochemical Property
logP
3.0191
Rotatable Bonds
9
Heavy Atom Count
29
Polar Areas
69.56
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 118643388
ChEMBL ID
CHEMBL3409319
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 360 nM
   TI
   LI
   LO
   TS