≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)NC4=NC(=NC(=C34)C5=CC=NC6=CC=CC=C56)C)OC |
|---|---|
| IUPAC Name | 4-(6-methoxy-2-methyl-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole |
| InChIKey | AEANZCXROGPSBY-UHFFFAOYSA-N |
| INCHI | 1S/C26H21N5O2/c1-13-23(14(2)33-31-13)19-11-21-18(12-22(19)32-4)24-25(28-15(3)29-26(24)30-21)17-9-10-27-20-8-6-5-7-16(17)20/h5-12H,1-4H3,(H,28,29,30) |
| Isomeric SMILES | CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)NC4=NC(=NC(=C34)C5=CC=NC6=CC=CC=C56)C)OC |
| PubChem CID | 90395752 |
| MeSH Entry Terms | 4-(6-methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido(4,5-b)indol-7-yl)-3,5-dimethylisoxazole;CD161 compound |
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 | Quinolines and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quinolines and derivatives |
| Alternative Parents | Pyrrolo[2,3-d]pyrimidines Indoles Anisoles Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Pyridines and derivatives Pyrroles Isoxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinoline - Pyrrolo[2,3-d]pyrimidine - Indole - Indole or derivatives - Pyrrolopyrimidine - Anisole - Phenol ether - Alkyl aryl ether - Pyridine - Pyrimidine - Benzenoid - Isoxazole - Heteroaromatic compound - Azole - Pyrrole - Oxacycle - Ether - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene. |
| External Descriptors | Not available |
| Molecular Weight | 435.500 g/mol |
|---|---|
| XLogP3 | 5.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 435.17 Da |
| Monoisotopic Mass | 435.17 Da |
| Topological Polar Surface Area | 89.700 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 696.000 |
| 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 |
![7-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-6-Methoxy-2-Methyl-4-(Quinolin-4-Yl)-9h-Pyrimido[4,5-B]indole - ≥98% , CAS No.1627716-22-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)