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157809-85-3 | 1-(2-CHLOROPHENYL)-N-(1-METHYLPROPYL)-ISOQUINOLINE-3-CARBOXAMIDE
CAS No: 157809-85-3 Catalog No: AG00AP1K MDL No:
Product Description
Catalog Number:
AG00AP1K
Chemical Name:
1-(2-CHLOROPHENYL)-N-(1-METHYLPROPYL)-ISOQUINOLINE-3-CARBOXAMIDE
CAS Number:
157809-85-3
IUPAC Name:
N-butan-2-yl-1-(2-chlorophenyl)isoquinoline-3-carboxamide
InChI:
InChI=1S/C20H19ClN2O/c1-3-13(2)22-20(24)18-12-14-8-4-5-9-15(14)19(23-18)16-10-6-7-11-17(16)21/h4-13H,3H2,1-2H3,(H,22,24)
InChI Key:
XXSIYNJKCPZOFQ-UHFFFAOYSA-N
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.119g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.835g/mol
Monoisotopic Mass:
338.119g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
Literature
| Title | Journal |
|---|---|
| [Radiosynthesis of peripheral benzodiazepine receptor radioligand [N-methyl-(11)C]PK 11195 as an imaging agent for positron emission tomography]. | Nan fang yi ke da xue xue bao = Journal of Southern Medical University 20091201 |
| 1-(Phenyl)isoquinoline carboxamides: a novel class of subtype selective inhibitors of thyrotropin-releasing hormone (TRH) receptors. | Bioorganic & medicinal chemistry letters 20050201 |
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