≥95% 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.
| Canonical Smiles | CC(C)C1=CC=C(C=C1)C2=NC(=O)N(C3=C2C=C(C=C3)NCC#C)C(C)C |
|---|---|
| IUPAC Name | 1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-(prop-2-ynylamino)quinazolin-2-one |
| InChIKey | QWJVHLKUOSQDLL-UHFFFAOYSA-N |
| INCHI | 1S/C23H25N3O/c1-6-13-24-19-11-12-21-20(14-19)22(25-23(27)26(21)16(4)5)18-9-7-17(8-10-18)15(2)3/h1,7-12,14-16,24H,13H2,2-5H3 |
| Isomeric SMILES | CC(C)C1=CC=C(C=C1)C2=NC(=O)N(C3=C2C=C(C=C3)NCC#C)C(C)C |
| PubChem CID | 45141172 |
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 |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrimidines |
| Alternative Parents | Quinazolinamines Bicyclic monoterpenoids Aromatic monoterpenoids Phenylpropanes Cumenes Secondary alkylarylamines Pyrimidones Heteroaromatic compounds Azacyclic compounds Acetylides Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 4-phenylpyrimidine - Quinazolinamine - P-cymene - Aromatic monoterpenoid - Bicyclic monoterpenoid - Monoterpenoid - Quinazoline - Cumene - Phenylpropane - Pyrimidone - Secondary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Acetylide - Secondary amine - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
| Molecular Weight | 359.500 g/mol |
|---|---|
| XLogP3 | 4.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 359.2 Da |
| Monoisotopic Mass | 359.2 Da |
| Topological Polar Surface Area | 44.700 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 606.000 |
| 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 |
![2(1H)-Quinazolinone, 1-(1-methylethyl)-4-[4-(1-methylethyl)phenyl]-6-(2-propyn-1-ylamino)- - ≥95% CAS No(478963-46-1) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/H/1/H1052892.jpg)