3-(2-Oxo-1,2,3,4-tetrahydro-3-quinazolinyl)pyrrolidine-2,5-dione - CAS 940055-63-0
Catalog: |
BB041167 |
Product Name: |
3-(2-Oxo-1,2,3,4-tetrahydro-3-quinazolinyl)pyrrolidine-2,5-dione |
CAS: |
940055-63-0 |
Synonyms: |
3-(2-oxo-1,4-dihydroquinazolin-3-yl)pyrrolidine-2,5-dione; 3-(2-oxo-1,4-dihydroquinazolin-3-yl)pyrrolidine-2,5-dione |
IUPAC Name: | 3-(2-oxo-1,4-dihydroquinazolin-3-yl)pyrrolidine-2,5-dione |
Description: | 3-(2-Oxo-1,2,3,4-tetrahydro-3-quinazolinyl)pyrrolidine-2,5-dione (CAS# 940055-63-0 ) is a useful research chemical. |
Molecular Weight: | 245.23 |
Molecular Formula: | C12H11N3O3 |
Canonical SMILES: | C1C(C(=O)NC1=O)N2CC3=CC=CC=C3NC2=O |
InChI: | InChI=1S/C12H11N3O3/c16-10-5-9(11(17)14-10)15-6-7-3-1-2-4-8(7)13-12(15)18/h1-4,9H,5-6H2,(H,13,18)(H,14,16,17) |
InChI Key: | KTNYSUIXLLFACK-UHFFFAOYSA-N |
LogP: | 0.85390 |
Publication Number | Title | Priority Date |
DE-102005057912-A1 | In the 3-position heterocyclic substituted pyrrolidine (thi) one | 20051202 |
EP-1957481-A1 | Pyrrolidin(thi)ones heterocyclically substituted in 3-position | 20051202 |
EP-1957481-B1 | Pyrrolidin(thi)ones heterocyclically substituted in 3-position | 20051202 |
ES-2360820-T3 | PIRROLIDIN (TI) SUBSTITUTED WAVES HETEROCYCLIC IN THE POSITION 3. | 20051202 |
US-2008293749-A1 | Pyrrolidine(thi)ones Substituted by Heterocyclic Substituents in The 3-Position | 20051202 |
Complexity: | 409 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.08004122 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.08004122 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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