≥98% 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.
| Canonical Smiles | CN(C1CCCCC1)C(=O)CON=C(C2=CC=CC=C2)C3=CC4=C(C=C3)N=C5NC(=O)CN5C4 |
|---|---|
| IUPAC Name | N-cyclohexyl-N-methyl-2-[(Z)-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)-phenylmethylidene]amino]oxyacetamide |
| InChIKey | VHDUUXNHZLBGHQ-GNVQSUKOSA-N |
| INCHI | 1S/C26H29N5O3/c1-30(21-10-6-3-7-11-21)24(33)17-34-29-25(18-8-4-2-5-9-18)19-12-13-22-20(14-19)15-31-16-23(32)28-26(31)27-22/h2,4-5,8-9,12-14,21H,3,6-7,10-11,15-17H2,1H3,(H,27,28,32)/b29-25- |
| Isomeric SMILES | CN(C1CCCCC1)C(=O)CO/N=C(/C2=CC=CC=C2)\C3=CC4=C(C=C3)N=C5NC(=O)CN5C4 |
| Alternate CAS | 133718-30-6 |
| PubChem CID | 136377073 |
| MeSH Entry Terms | R 79595;R 80122;R 80123;R-79595;R-80122;R-80123;R80122 |
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 | Diazanaphthalenes |
| Subclass | Benzodiazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quinazolines |
| Alternative Parents | Alpha amino acids and derivatives Imidazolinones Benzene and substituted derivatives Tertiary carboxylic acid amides N-acylimines Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid or derivatives - Quinazoline - Monocyclic benzene moiety - Imidazolinone - Benzenoid - 2-imidazoline - Tertiary carboxylic acid amide - Carboxamide group - Guanidine - N-acylimine - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Description | 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 |
| Molecular Weight | 459.500 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 459.227 Da |
| Monoisotopic Mass | 459.227 Da |
| Topological Polar Surface Area | 86.600 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 815.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
![N-cyclohexyl-N-methyl-2-[(Z)-[(2-oxo-5,10-dihydro-3H-imidazo[2,1-b]quinazolin-7-yl)-phenylmethylidene]amino]oxyacetamide - ≥98% CAS No(133718-30-6) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/N/1/N1305251.jpg)