| CAS Number | 1154233-36-9 |
| Catalog Number | AG01BD2D |
| Chemical Name | methyl 2-(6-amino-4-oxo-3,4-dihydroquinazolin-3-yl)acetate |
| IUPAC Name | methyl 2-(6-amino-4-oxoquinazolin-3-yl)acetate |
| InChI | InChI=1S/C11H11N3O3/c1-17-10(15)5-14-6-13-9-3-2-7(12)4-8(9)11(14)16/h2-4,6H,5,12H2,1H3 |
| InChI Key | FPFRLSARVBOEGR-UHFFFAOYSA-N |
| MDL Number | MFCD12412007 |
| Molecular Formula | C11H11N3O3 |
| Molecular Weight | 233.2233 |
| SMILES | COC(CN1C(=O)C2=C(C=CC(=C2)N)N=C1)=O |
| Synonyms | methyl 2-(6-amino-4-oxo-3,4-dihydroquinazolin-3-yl)acetate,
1154233-36-9,
ZINC35328598,
AKOS005828658,
NE53972,
|
| Complexity | 356 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.227g/mol |
| Monoisotopic Mass | 233.08g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 85A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
Lot Number