General Information of the Compound
Compound ID
CP0402371
Compound Name
(2-Methoxy-5,6,7,8-tetrahydro-quinolin-6-yl)-dipropyl-amine
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Structure
Formula
C16H26N2O
Molecular Weight
262.397
Canonical SMILES
CCCN(CCC)C1CCc2nc(OC)ccc2C1
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InChI
InChI=1S/C16H26N2O/c1-4-10-18(11-5-2)14-7-8-15-13(12-14)6-9-16(17-15)19-3/h6,9,14H,4-5,7-8,10-12H2,1-3H3
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InChIKey
CQPLSAHLVMGWEI-UHFFFAOYSA-N
Physicochemical Property
logP
3.0695
Rotatable Bonds
6
Heavy Atom Count
19
Polar Areas
25.36
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 9992903
SID: 14971835
ChEMBL ID
CHEMBL105509
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: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
Ki = 1202 nM
   TI
   LI
   LO
   TS
2
Ki > 3333 nM
   TI
   LI
   LO
   TS
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 158 nM
   TI
   LI
   LO
   TS