General Information of the Compound
Compound ID
CP0371364
Compound Name
N-[4-(3-piperidin-1-ylpropoxy)phenyl]quinolin-4-amine
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Structure
Formula
C23H27N3O
Molecular Weight
361.489
Canonical SMILES
C(COc1ccc(Nc2ccnc3ccccc23)cc1)CN1CCCCC1
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InChI
InChI=1S/C23H27N3O/c1-4-15-26(16-5-1)17-6-18-27-20-11-9-19(10-12-20)25-23-13-14-24-22-8-3-2-7-21(22)23/h2-3,7-14H,1,4-6,15-18H2,(H,24,25)
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InChIKey
ONLSHDMBVNRMPI-UHFFFAOYSA-N
Physicochemical Property
logP
5.2332
Rotatable Bonds
7
Heavy Atom Count
27
Polar Areas
37.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 10067161
SID: 15052318
ChEMBL ID
CHEMBL15153
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: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  3
1
Ki = 0.091 nM
   TI
   LI
   LO
   TS
2
Ki = 0.1 nM
   TI
   LI
   LO
   TS
3
Ki = 0.5 nM
   TI
   LI
   LO
   TS