Molecular Details
DICL_CP_0307702
- quinolin-2-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307702
PubChem CID
Molecular Formula
C9H8N2 Molecular Weight
144.177 g/mol
Synonyms/Alias
[2-AMINOQUINOLINE; quinolin-2-amine; 580-22-3; 2-Quinolinamine; Quinolinamine; 101772-05-8; Quinoline; 2-amino-; quinolin-2-ylamine; 2-amino-quinoline; 2-Quinolinylamine; 139265-95-5; 31135-62-3; MFCD...
InChI Key
GCMNJUJAKQGROZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)
IUPAC Name
quinolin-2-amine
CAS Number
2941384-51-4
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
19 20 0 0 0 0 0 0 0 0999 V2000
-2.8969 -0.0643 -0.1478 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5183 1.1603 -0.7079 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1661 1.508...
Experimental Data
Activity Data
Target Ion Channel
5-hydroxytryptamine receptor 3A
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 1000 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.7
Holding Potential
Not specified
Temperature
25 °C
Test Method
Binding assay ([3H] quipazine)
Test Species
Not specified
Binding Information
Binding Site
extracellular domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
11
Rotatable Bonds
0
logP
1.817
Complexity
46.1554
TPSA (Ų)
38.91
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
2