General Information of the Compound
Compound ID
CP0561027
Compound Name
1-butyl-N-(cyclopropylmethyl)-8-methoxy-4-oxoquinoline-3-carboxamide
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Structure
Formula
C19H24N2O3
Molecular Weight
328.412
Canonical SMILES
CCCCn1cc(C(=O)NCC2CC2)c(=O)c2cccc(OC)c12
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InChI
InChI=1S/C19H24N2O3/c1-3-4-10-21-12-15(19(23)20-11-13-8-9-13)18(22)14-6-5-7-16(24-2)17(14)21/h5-7,12-13H,3-4,8-11H2,1-2H3,(H,20,23)
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InChIKey
GCOLZBOPIXIWIM-UHFFFAOYSA-N
Physicochemical Property
logP
2.95
Rotatable Bonds
7
Heavy Atom Count
24
Polar Areas
60.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 118643310
ChEMBL ID
CHEMBL3409152
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 = 78.8 nM
   TI
   LI
   LO
   TS