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Home > Quinoline > 807334-89-0
807334-89-0 | 1,3,4(2H)-Isoquinolinetrione, 2-(2-propenyl)-
CAS No: 807334-89-0 Catalog No: AG005JRA MDL No:
Product Description
Catalog Number:
AG005JRA
Chemical Name:
1,3,4(2H)-Isoquinolinetrione, 2-(2-propenyl)-
CAS Number:
807334-89-0
Molecular Formula:
C12H9NO3
Molecular Weight:
215.2048
IUPAC Name:
2-prop-2-enylisoquinoline-1,3,4-trione
InChI:
InChI=1S/C12H9NO3/c1-2-7-13-11(15)9-6-4-3-5-8(9)10(14)12(13)16/h2-6H,1,7H2
InChI Key:
RFPACNBGGYBCGT-UHFFFAOYSA-N
SMILES:
C=CCN1C(=O)C(=O)c2c(C1=O)cccc2
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.208g/mol
Monoisotopic Mass:
215.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Design, synthesis, and biological evaluation of isoquinoline-1,3,4-trione derivatives as potent caspase-3 inhibitors. | Journal of medicinal chemistry 20060309 |
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