General Information of the Compound
| Compound ID |
CP0155799
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-phenylethynyl-7,8-dihydro-6H-quinolin-5-one
Show/Hide
|
||||||||||||||||||
| Synonyms |
2-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one
2-(PHENYLETHYNYL)-7,8-DIHYDROQUINOLIN-5(6H)-ONE
2-(Phenylethynyl)-7,8-dihydroquinolin-5(6H)-one, 98%
2-phenylethynyl-7,8-dihydro-6H-quinolin-5-one
5(6H)-Quinolinone, 7,8-dihydro-2-(phenylethynyl)-
864224-08-8
AK164588
AKOS025146642
AS-41243
BDBM50231741
CHEMBL252956
CTK3C7284
DTXSID10464098
SC-68865
SCHEMBL4325876
XOUDFZJCSDKXLG-UHFFFAOYSA-N
ZINC28967975
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H13NO
|
||||||||||||||||||
| Molecular Weight |
247.297
|
||||||||||||||||||
| Canonical SMILES |
O=C1CCCc2nc(ccc12)C#Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H13NO/c19-17-8-4-7-16-15(17)12-11-14(18-16)10-9-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-8H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
XOUDFZJCSDKXLG-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