General Information of the Compound
Compound ID
CP0380541
Compound Name
6-N,6-N-dipropyl-5,6,7,8-tetrahydroquinoline-2,6-diamine
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Structure
Formula
C15H25N3
Molecular Weight
247.386
Canonical SMILES
CCCN(CCC)C1CCc2nc(N)ccc2C1
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InChI
InChI=1S/C15H25N3/c1-3-9-18(10-4-2)13-6-7-14-12(11-13)5-8-15(16)17-14/h5,8,13H,3-4,6-7,9-11H2,1-2H3,(H2,16,17)
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InChIKey
QDXLLGQCGFUDMI-UHFFFAOYSA-N
Physicochemical Property
logP
2.6431
Rotatable Bonds
5
Heavy Atom Count
18
Polar Areas
42.15
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
18

"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: 9992189
SID: 14971029
ChEMBL ID
CHEMBL110888
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 = 5 nM
   TI
   LI
   LO
   TS
2
Ki = 17.1 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 = 0.87 nM
   TI
   LI
   LO
   TS