≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC(=O)OCC1=NC2=C(C=C(C(=C2)Cl)CN(CC#C)C3=CC=C(C=C3)C(=O)OC(C)(C)C)C(=O)N1C |
|---|---|
| IUPAC Name | tert-butyl 4-[[2-(acetyloxymethyl)-7-chloro-3-methyl-4-oxoquinazolin-6-yl]methyl-prop-2-ynylamino]benzoate |
| InChIKey | OQGQBNQJMQSAFM-UHFFFAOYSA-N |
| INCHI | 1S/C27H28ClN3O5/c1-7-12-31(20-10-8-18(9-11-20)26(34)36-27(3,4)5)15-19-13-21-23(14-22(19)28)29-24(16-35-17(2)32)30(6)25(21)33/h1,8-11,13-14H,12,15-16H2,2-6H3 |
| Peso molecular | 510.000 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Diazanaphthalenes |
| Subclass | Benzodiazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quinazolines |
| Alternative Parents | Benzoic acid esters Aminobenzoic acids and derivatives Dialkylarylamines Benzoyl derivatives Aniline and substituted anilines Pyrimidones Aralkylamines Dicarboxylic acids and derivatives Aryl chlorides Heteroaromatic compounds Lactams Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Acetylides Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinazoline - Benzoate ester - Aminobenzoic acid or derivatives - Benzoic acid or derivatives - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Benzoyl - Aralkylamine - Pyrimidone - Benzenoid - Pyrimidine - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Tertiary amine - Lactam - Carboxylic acid ester - Amino acid or derivatives - Acetylide - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring. |
| External Descriptors | Not available |
| Peso molecular | 510.000 g/mol |
|---|---|
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 10 |
| Exact Mass | 509.172 Da |
| Monoisotopic Mass | 509.172 Da |
| Topological Polar Surface Area | 88.500 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 912.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
