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1196-38-9 | 1(2H)-Isoquinolinone, 3,4-dihydro-
CAS No: 1196-38-9 Catalog No: AG000P8M MDL No:MFCD00853963
Product Description
Catalog Number:
AG000P8M
Chemical Name:
1(2H)-Isoquinolinone, 3,4-dihydro-
CAS Number:
1196-38-9
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD00853963
IUPAC Name:
3,4-dihydro-2H-isoquinolin-1-one
InChI:
InChI=1S/C9H9NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-4H,5-6H2,(H,10,11)
InChI Key:
YWPMKTWUFVOFPL-UHFFFAOYSA-N
SMILES:
O=C1NCCc2c1cccc2
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Identification of novel allosteric modulators for the G-protein coupled US28 receptor of human cytomegalovirus. | Bioorganic & medicinal chemistry letters 20110915 |
| Design, synthesis, and in vitro evaluation of potential West Nile virus protease inhibitors based on the 1-oxo-1,2,3,4-tetrahydroisoquinoline and 1-oxo-1,2-dihydroisoquinoline scaffolds. | Journal of combinatorial chemistry 20101108 |
| Methyl trans-(±)-1-oxo-2-phenethyl-3-(thio-phen-2-yl)-1,2,3,4-tetra-hydro-isoquinoline-4-carboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20090601 |
| trans-rac-[1-Oxo-2-phenethyl-3-(2-thien-yl)-1,2,3,4-tetra-hydro-isoquinolin-4-yl]methyl 4-methyl-benzene-sulfonate. | Acta crystallographica. Section E, Structure reports online 20081001 |
| Quinoline and derivatives at a tar oil contaminated site: hydroxylated products as indicator for natural attenuation? | Environmental science & technology 20070801 |
| Treatment with 1,2,3,4-tetrahydroisoquinolone affects the levels of nitric oxide, S-nitrosothiols, glutathione and the enzymatic activity of gamma-glutamyl transpeptidase in the dopaminergic structures of rat brain. | Brain research 20050712 |
| Synthesis and pharmacological evaluation of 1-oxo-2-(3-piperidyl)-1,2,3,4- tetrahydroisoquinolines and related analogues as a new class of specific bradycardic agents possessing I(f) channel inhibitory activity. | Journal of medicinal chemistry 20031023 |
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