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FAAH-IN-2 - 10mM in DMSO, high purity , CAS No.184475-71-6
Basic Description
Synonyms
184475-71-6 | 4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-ol | 4-((3-Chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-ol | FAAH-IN-2 | O-Desmorpholinopropyl Gefitinib | V26QDI5C8D | 4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinol | Gefitinib me
Specifications & Purity
10mM in DMSO
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Quinazolines
Direct Parent
Quinazolinamines
Alternative Parents
Aniline and substituted anilines Anisoles 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Aminopyrimidines and derivatives Chlorobenzenes Fluorobenzenes Aryl fluorides Aryl chlorides Imidolactams Heteroaromatic compounds Secondary amines Azacyclic compounds Organofluorides Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinazolinamine - Anisole - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Aminopyrimidine - Chlorobenzene - Fluorobenzene - Halobenzene - Phenol - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrimidine - Heteroaromatic compound - Azacycle - Ether - Secondary amine - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - 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
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol
INCHI
InChI=1S/C15H11ClFN3O2/c1-22-14-6-12-9(5-13(14)21)15(19-7-18-12)20-8-2-3-11(17)10(16)4-8/h2-7,21H,1H3,(H,18,19,20)
InChIKey
JLVTVCRXFMLUIF-UHFFFAOYSA-N
Smiles
COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)O
Isomeric SMILES
COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)O
Molecular Weight
319.72
Reaxy-Rn
8928756
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8928756&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Heat Sensitive
Melt Point(°C)
>232˚C (dec.)
Molecular Weight
319.720 g/mol
XLogP3
3.800
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
3
Exact Mass
319.052 Da
Monoisotopic Mass
319.052 Da
Topological Polar Surface Area
67.300 Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
379.000
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
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