| CAS Number | 153437-53-7 |
| Catalog Number | AG01EII9(AGN-PC-02T7GA) |
| Chemical Name | 6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one |
| IUPAC Name | 6-morpholin-4-yl-4aH-quinazolin-4-one |
| InChI | InChI=1S/C12H13N3O2/c16-12-10-7-9(15-3-5-17-6-4-15)1-2-11(10)13-8-14-12/h1-2,7-8,10H,3-6H2 |
| InChI Key | ZDORYWXYNWFJMP-UHFFFAOYSA-N |
| MDL Number | MFCD25953480 |
| Molecular Formula | C12H13N3O2 |
| Molecular Weight | 231.2505 |
| SMILES | O=C1C2=C(C=CC(N3CCOCC3)=C2)N=CN1 |
| Synonyms | 6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one,
153437-53-7,
|
| Complexity | 456 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.255g/mol |
| Monoisotopic Mass | 231.101g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
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