General Information of the Compound
Compound ID
CP0954512
Compound Name
7-(Morpholin-4-yl-p-tolyl-methyl)-quinolin-8-ol
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Structure
Formula
C21H22N2O2
Molecular Weight
334.419
Canonical SMILES
Cc1ccc(C(c2ccc3cccnc3c2O)N2CCOCC2)cc1
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InChI
InChI=1S/C21H22N2O2/c1-15-4-6-17(7-5-15)20(23-11-13-25-14-12-23)18-9-8-16-3-2-10-22-19(16)21(18)24/h2-10,20,24H,11-14H2,1H3
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InChIKey
WYTKXHPXHJGOQR-UHFFFAOYSA-N
Physicochemical Property
logP
3.67042
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
45.59
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 51352622
SID: 121271478
ChEMBL ID
CHEMBL4551418
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: PT06765, Hepcidin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 < 50000 nM
   TI
   LI
   LO
   TS