≥97% 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 | COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCNCC4 |
|---|---|
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-piperazin-1-ylpropoxy)quinazolin-4-amine |
| InChIKey | DZCZBMJRPPOTAD-UHFFFAOYSA-N |
| INCHI | 1S/C22H25ClFN5O2/c1-30-20-13-19-16(12-21(20)31-10-2-7-29-8-5-25-6-9-29)22(27-14-26-19)28-15-3-4-18(24)17(23)11-15/h3-4,11-14,25H,2,5-10H2,1H3,(H,26,27,28) |
| Isomeric SMILES | COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCNCC4 |
| PubChem CID | 11476336 |
| Molecular Weight | 445.9 |
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 | Quinazolines |
| Direct Parent | Quinazolinamines |
| Alternative Parents | Aniline and substituted anilines Anisoles Alkyl aryl ethers Aminopyrimidines and derivatives N-alkylpiperazines Chlorobenzenes Fluorobenzenes Imidolactams Aryl chlorides Aryl fluorides Heteroaromatic compounds Trialkylamines Azacyclic compounds Dialkylamines Organochlorides Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinazolinamine - Anisole - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Aminopyrimidine - Chlorobenzene - Fluorobenzene - Halobenzene - N-alkylpiperazine - Pyrimidine - Piperazine - Imidolactam - Benzenoid - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Secondary amine - Azacycle - Ether - Secondary aliphatic amine - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - 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 | 445.900 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 8 |
| Exact Mass | 445.168 Da |
| Monoisotopic Mass | 445.168 Da |
| Topological Polar Surface Area | 71.500 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 544.000 |
| 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 |
