General Information of the Compound
| Compound ID |
CP0390987
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(propylamino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
Show/Hide
|
||||||||||||||||||
| Synonyms |
4-(Trifluoromethyl)-6-(propylamino)quinoline-2(1H)-one
6-N-propyl -4-trifluoromethylquinolin-2(1H)-one
6-dialkylamino-4-trifluoromethylquinolin-2(1H)-one, 4a
BDBM18527
CHEMBL405835
SCHEMBL1771502
ZINC14968235
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H13F3N2O
|
||||||||||||||||||
| Molecular Weight |
270.254
|
||||||||||||||||||
| Canonical SMILES |
CCCNc1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H13F3N2O/c1-2-5-17-8-3-4-11-9(6-8)10(13(14,15)16)7-12(19)18-11/h3-4,6-7,17H,2,5H2,1H3,(H,18,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YGYHGNGCPLCHQH-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"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). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
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
Clinical Information about the Compound