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Home > Quinoline > 864224-08-8
864224-08-8 | 2-(Phenylethynyl)-7,8-dihydroquinolin-5(6H)-one
CAS No: 864224-08-8 Catalog No: AG004R6D MDL No:MFCD21099573
Product Description
Catalog Number:
AG004R6D
Chemical Name:
2-(Phenylethynyl)-7,8-dihydroquinolin-5(6H)-one
CAS Number:
864224-08-8
Molecular Formula:
C17H13NO
Molecular Weight:
247.2912
MDL Number:
MFCD21099573
IUPAC Name:
2-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one
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
InChI Key:
XOUDFZJCSDKXLG-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1ccc(n2)C#Cc1ccccc1
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.297g/mol
Monoisotopic Mass:
247.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Discovery of novel positive allosteric modulators of the metabotropic glutamate receptor 5 (mGlu5). | Bioorganic & medicinal chemistry letters 20110301 |
| Positive and negative modulation of group I metabotropic glutamate receptors. | Journal of medicinal chemistry 20080214 |
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