| CAS Number | 159109-11-2 |
| Catalog Number | AG00ASX9(AGN-PC-04CYNS) |
| Chemical Name | 5-Ethyl-7,8-dimethoxy-1H-pyrrolo[3,4-c]isoquinoline-1,3(2H)-dione |
| IUPAC Name | 5-ethyl-7,8-dimethoxypyrrolo[3,4-c]isoquinoline-1,3-dione |
| InChI | InChI=1S/C15H14N2O4/c1-4-9-7-5-10(20-2)11(21-3)6-8(7)12-13(16-9)15(19)17-14(12)18/h5-6H,4H2,1-3H3,(H,17,18,19) |
| InChI Key | ULVWJFBHQIXEPE-UHFFFAOYSA-N |
| MDL Number | MFCD00543535 |
| Molecular Formula | C15H14N2O4 |
| Molecular Weight | 286.2827 |
| SMILES | C(C)C1=NC2=C(C=3C=C(C(=CC13)OC)OC)C(NC2=O)=O |
| Synonyms | 159109-11-2,
3F8,
Kinome_3660,
Oprea1_190249,
CHEMBL2003524,
SCHEMBL15062698,
ZINC187946,
AKOS024457969,
J-009563,
5-Ethyl-7,8-dimethoxy-1H-pyrrolo[3,4-c]isoquinoline-1,3(2H)-dione,
ULVWJFBHQIXEPE-UHFFFAOYSA-N,
|
| Complexity | 441 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.287g/mol |
| Monoisotopic Mass | 286.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 77.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number