≥98% 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 | CCOP(=O)(CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCOC4)OCC |
|---|---|
| IUPAC Name | N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-2-diethoxyphosphorylacetamide |
| InChIKey | FNGRCLBEXKFSST-INIZCTEOSA-N |
| INCHI | 1S/C24H27ClFN4O6P/c1-3-34-37(32,35-4-2)13-23(31)30-21-10-17-20(11-22(21)36-16-7-8-33-12-16)27-14-28-24(17)29-15-5-6-19(26)18(25)9-15/h5-6,9-11,14,16H,3-4,7-8,12-13H2,1-2H3,(H,30,31)(H,27,28,29)/t16-/m0/s1 |
| Isomeric SMILES | CCOP(=O)(CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4)OCC |
| Alternate CAS | 618061-76-0 |
| PubChem CID | 15606393 |
| Molecular Weight | 552.9 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazanaphthalenes |
| Subclass | Benzodiazines |
| Intermediate Tree Nodes | Quinazolines |
| Direct Parent | Quinazolinamines |
| Alternative Parents | N-arylamides Aniline and substituted anilines Phenol ethers Chlorobenzenes Dialkyl alkylphosphonates Fluorobenzenes Aminopyrimidines and derivatives Alkyl aryl ethers Aryl fluorides Imidolactams Aryl chlorides Phosphonic acid esters Heteroaromatic compounds Oxolanes Secondary carboxylic acid amides Amino acids and derivatives Secondary amines Azacyclic compounds Dialkyl ethers Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organophosphorus compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinazolinamine - Phenol ether - N-arylamide - Aniline or substituted anilines - Dialkyl alkylphosphonate - Aminopyrimidine - Chlorobenzene - Alkyl aryl ether - Fluorobenzene - Phosphonic acid diester - Halobenzene - Aryl chloride - Aryl fluoride - Phosphonic acid ester - Pyrimidine - Aryl halide - Monocyclic benzene moiety - Benzenoid - Imidolactam - Oxolane - Organophosphonic acid derivative - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Azacycle - Secondary amine - Carboxylic acid derivative - Dialkyl ether - Ether - Organooxygen compound - Organic oxide - Organophosphorus compound - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound |
| Description | 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 |
| Molecular Weight | 552.900 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 11 |
| Exact Mass | 552.134 Da |
| Monoisotopic Mass | 552.134 Da |
| Topological Polar Surface Area | 121.000 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 792.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
