General Information of the Compound
Compound ID
CP0498450
Compound Name
(8-methyl-2-phenylquinolin-4-yl)-morpholin-4-ylmethanone
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Structure
Formula
C21H20N2O2
Molecular Weight
332.403
Canonical SMILES
Cc1cccc2c(cc(nc12)-c1ccccc1)C(=O)N1CCOCC1
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InChI
InChI=1S/C21H20N2O2/c1-15-6-5-9-17-18(21(24)23-10-12-25-13-11-23)14-19(22-20(15)17)16-7-3-2-4-8-16/h2-9,14H,10-13H2,1H3
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InChIKey
RQMFVLVKVBTNBA-UHFFFAOYSA-N
Physicochemical Property
logP
3.68262
Rotatable Bonds
2
Heavy Atom Count
25
Polar Areas
42.43
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 698717
ChEMBL ID
CHEMBL4748026
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: PT01861, Urokinase plasminogen activator surface receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000090 Schneider 2 Drosophila melanogaster (Fruit fly)  2
1
IC50 = 89700 nM
   TI
   LI
   LO
   TS
2
IC50 = 141000 nM
   TI
   LI
   LO
   TS