General Information of the Compound
Compound ID
CP0428662
Compound Name
6-amino-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
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Synonyms
2(1H)-Quinolinone, 6-amino-4-(trifluoromethyl)-
328955-57-3
6-Amino-4-(trifluoromethyl)-quinolin-2(1h)-one
6-Amino-4-trifluoromethyl-2(1H)-quinolinone
6-amino-4-(trifluoromethyl)quinolin-2(1H)-one
6-amino-4-trifluoromethylquinolin-2(1H)-one
AB0024239
AB1009151
AC-27434
AJ-61229
AK-41783
AKOS015951346
ANW-46096
AX8208563
BDBM18526
CHEMBL385509
CS-0084832
CTK8B4763
DTXSID60582115
FT-0688581
LMXZMEMPGRLDIG-UHFFFAOYSA-N
SC-50493
SCHEMBL1770828
SCHEMBL19680530
ST2406401
W5464
ZINC12349446
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Structure
Formula
C10H7F3N2O
Molecular Weight
228.173
Canonical SMILES
Nc1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
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InChI
InChI=1S/C10H7F3N2O/c11-10(12,13)7-4-9(16)15-8-2-1-5(14)3-6(7)8/h1-4H,14H2,(H,15,16)
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InChIKey
LMXZMEMPGRLDIG-UHFFFAOYSA-N
Physicochemical Property
logP
2.1291
Rotatable Bonds
0
Heavy Atom Count
16
Polar Areas
58.88
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
16

"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: 16090308
SID: 24736296
ChEMBL ID
CHEMBL385509
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: PT00894, Androgen receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000044 CV-1
 Cell Line Info 
Chlorocebus aethiops (Green monkey)  2
1
EC50 > 10000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 26 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000284 MDA-MB-453
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki > 10000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 6-amino-4-trifluoromethylquinolin-2(1H)-one )
Drug Name 6-amino-4-trifluoromethylquinolin-2(1H)-one
Target(s)
Androgen receptor messenger RNA (AR mRNA)
 Target Info 
Inhibitor