General Information of the Compound
Compound ID
CP0428509
Compound Name
4-(4-Phenoxybutoxy)quinoline
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Structure
Formula
C19H19NO2
Molecular Weight
293.366
Canonical SMILES
C(CCOc1ccnc2ccccc12)COc1ccccc1
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InChI
InChI=1S/C19H19NO2/c1-2-8-16(9-3-1)21-14-6-7-15-22-19-12-13-20-18-11-5-4-10-17(18)19/h1-5,8-13H,6-7,14-15H2
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InChIKey
RDEWQENIJJCEFK-UHFFFAOYSA-N
Physicochemical Property
logP
4.4728
Rotatable Bonds
7
Heavy Atom Count
22
Polar Areas
31.35
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 42631043
SID: 81070018
ChEMBL ID
CHEMBL564031
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: PT02298, Potassium voltage-gated channel subfamily A member 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000309 NCTC clone 929 Mus musculus (Mouse)  1
1
IC50 > 10000 nM
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