General Information of the Compound
Compound ID
CP0535531
Compound Name
2-methyl-N,N-dipropyl-8-(2,4,6-trimethylphenyl)quinolin-4-amine
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Structure
Formula
C25H32N2
Molecular Weight
360.545
Canonical SMILES
CCCN(CCC)c1cc(C)nc2c(cccc12)-c1c(C)cc(C)cc1C
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InChI
InChI=1S/C25H32N2/c1-7-12-27(13-8-2)23-16-20(6)26-25-21(23)10-9-11-22(25)24-18(4)14-17(3)15-19(24)5/h9-11,14-16H,7-8,12-13H2,1-6H3
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InChIKey
NUDMNTFRWJIIBW-UHFFFAOYSA-N
Physicochemical Property
logP
6.76188
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
16.13
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
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: 44342075
ChEMBL ID
CHEMBL431076
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: PT01588, Corticotropin-releasing factor receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 3 nM
   TI
   LI
   LO
   TS