Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™,≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 | CC1=C(C(=O)N(C=C1)C2=CC=C(C=C2)C3=NC=CO3)C4=CC5=CN=C(N=C5C=C4)N |
|---|---|
| IUPAC Name | 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[4-(1,3-oxazol-2-yl)phenyl]pyridin-2-one |
| InChIKey | IGFSMGCBFTXTJK-UHFFFAOYSA-N |
| INCHI | 1S/C23H17N5O2/c1-14-8-10-28(18-5-2-15(3-6-18)21-25-9-11-30-21)22(29)20(14)16-4-7-19-17(12-16)13-26-23(24)27-19/h2-13H,1H3,(H2,24,26,27) |
| Isómeros SMILES | CC1=C(C(=O)N(C=C1)C2=CC=C(C=C2)C3=NC=CO3)C4=CC5=CN=C(N=C5C=C4)N |
| Peso molecular | 395.42 |
| Reaxy-Rn | 13064941 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13064941&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Diazanaphthalenes |
| Subclass | Benzodiazines |
| Intermediate Tree Nodes | Quinazolines |
| Direct Parent | Quinazolinamines |
| Alternative Parents | Phenyl-1,3-oxazoles Pyridinones Methylpyridines Dihydropyridines Aminopyrimidines and derivatives Benzene and substituted derivatives Heteroaromatic compounds Lactams Oxacyclic compounds Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenyl-1,3-oxazole - Quinazolinamine - Aminopyrimidine - Dihydropyridine - Pyridinone - Methylpyridine - Monocyclic benzene moiety - Hydropyridine - Pyridine - Pyrimidine - Benzenoid - Azole - Oxazole - Heteroaromatic compound - Lactam - Azacycle - Oxacycle - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups. |
| External Descriptors | Not available |
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| Peso molecular | 395.400 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 395.138 Da |
| Monoisotopic Mass | 395.138 Da |
| Topological Polar Surface Area | 98.100 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 714.000 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →