General Information of the Compound
Compound ID
CP0376551
Compound Name
2-(2,6-dimethoxy-4-methylphenyl)-N,N-diethyl-8-methoxy-3-methylquinolin-5-amine
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Structure
Formula
C24H30N2O3
Molecular Weight
394.515
Canonical SMILES
CCN(CC)c1ccc(OC)c2nc(c(C)cc12)-c1c(OC)cc(C)cc1OC
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InChI
InChI=1S/C24H30N2O3/c1-8-26(9-2)18-10-11-19(27-5)24-17(18)14-16(4)23(25-24)22-20(28-6)12-15(3)13-21(22)29-7/h10-14H,8-9H2,1-7H3
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InChIKey
AWUIPMWQBCSXND-UHFFFAOYSA-N
Physicochemical Property
logP
5.39064
Rotatable Bonds
7
Heavy Atom Count
29
Polar Areas
43.82
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 71456848
SID: 163447733
ChEMBL ID
CHEMBL2160159
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
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 43 nM
   TI
   LI
   LO
   TS
2
IC50 = 99 nM
   TI
   LI
   LO
   TS