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36828-24-7 | 1(2H)-Isoquinolinone, 4-phenyl-
CAS No: 36828-24-7 Catalog No: AG0077WQ MDL No:
Product Description
Catalog Number:
AG0077WQ
Chemical Name:
1(2H)-Isoquinolinone, 4-phenyl-
CAS Number:
36828-24-7
Molecular Formula:
C15H11NO
Molecular Weight:
221.2539
IUPAC Name:
4-phenyl-2H-isoquinolin-1-one
InChI:
InChI=1S/C15H11NO/c17-15-13-9-5-4-8-12(13)14(10-16-15)11-6-2-1-3-7-11/h1-10H,(H,16,17)
InChI Key:
NDQPDHVEGVZCSY-UHFFFAOYSA-N
SMILES:
O=c1[nH]cc(c2c1cccc2)c1ccccc1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.259g/mol
Monoisotopic Mass:
221.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Further studies on imidazo[4,5-b]pyridine AT1 angiotensin II receptor antagonists. Effects of the transformation of the 4-phenylquinoline backbone into 4-phenylisoquinolinone or 1-phenylindene scaffolds. | Journal of medicinal chemistry 20061102 |
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