NSC 663284 (Standard)

Chemical Information
6-chloro-7-[2-(4-morpholinyl)ethylamino]quinoline-5,8-dione is a quinolone that is quinoline-5,8-dione substituted by chloro and [2-(morpholin-4-yl)ethyl]amino groups at positions 6 and 7, respectively. It is a potent and irreversible inhibitor of Cdc25 isoforms. It has a role as an EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor and an antineoplastic agent. It is a quinolone, a member of p-quinones, an organochlorine compound, an aminoquinoline and a member of morpholines.
| CAS Number | 383907-43-5 |
| PubChem CID | 379077 |
| IUPAC Name | 6-chloro-7-(2-morpholin-4-ylethylamino)quinoline-5,8-dione |
| Molecular Formula | C15H16ClN3O3 |
| Molecular Weight | 321.76 |
| XLogP | 1.4 |
| Topological Polar Surface Area | 71.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 488 |
| Property | Value |
|---|---|
| Molecular Weight | 321.76 |
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 321.0880191 |
| Monoisotopic Mass | 321.0880191 |
| Topological Polar Surface Area | 71.5 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 488 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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