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N-(3-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine , CAS No.202475-55-6

COA

Cas Number: 202475-55-6
Molecular Weight: 299.3
PubChem CID: 1474883

In stock

Item Number

N668636

Grouped product items
SKU	Size	Availability	Price	Qty
N668636-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90
N668636-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,999.90

Basic Description

Synonyms	N-(3-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine \| 11N-112 \| N-(3-fluorophenyl)-6,7-dimethoxy-4-quinazolinamine \| Oprea1_420657 \| BDBM3531 \| DTXSID30363059 \| DFWBDVRBHHFDNZ-UHFFFAOYSA-N \| AKOS003676312 \| PD082016 \| 4-[(3-Fluorophenyl)amino]-6,7-dimethox

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazanaphthalenes
    - Subclass Benzodiazines
      - Level5 Quinazolines
        Level6 Quinazolinamines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazanaphthalenes
Subclass	Benzodiazines
Intermediate Tree Nodes	Quinazolines
Direct Parent	Quinazolinamines
Alternative Parents	Anisoles Aniline and substituted anilines Fluorobenzenes Aminopyrimidines and derivatives Alkyl aryl ethers Imidolactams Aryl fluorides Heteroaromatic compounds Secondary amines Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Quinazolinamine - Anisole - Aniline or substituted anilines - Alkyl aryl ether - Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Ether - Azacycle - Secondary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organooxygen compound - Organopnictogen compound - Organic nitrogen 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
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. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

EGFR Tclin Epidermal growth factor receptor (2 Activities)

Discover Target: EGFR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

Discover Target: EGFR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	N-(3-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine
INCHI	InChI=1S/C16H14FN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
InChIKey	DFWBDVRBHHFDNZ-UHFFFAOYSA-N
Smiles	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)F)OC
Isomeric SMILES	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)F)OC
PubChem CID	1474883
Molecular Weight	299.3

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	299.300 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	299.107 Da
Monoisotopic Mass	299.107 Da
Topological Polar Surface Area	56.300 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	360.000
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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