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

CAS: 202475-55-6 Cat. No.: N668636 Molecular Weight: 299.3 PubChem CID: 1474883
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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
Storage
Room temperature
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1mg
N668636-1mg
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5mg
N668636-5mg
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

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
Storage
Room temperature
Product Properties
ALogP3.5
Names and Identifiers
Canonical SmilesCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)F)OC
IUPAC NameN-(3-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine
InChIKeyDFWBDVRBHHFDNZ-UHFFFAOYSA-N
INCHI1S/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)
Isomeric SMILES COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)F)OC
PubChem CID 1474883
Molecular Weight 299.3

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassDiazanaphthalenes
SubclassBenzodiazines
Intermediate Tree Nodes Quinazolines
Direct ParentQuinazolinamines
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 FrameworkAromatic 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
EGFR Tclin Epidermal growth factor receptor (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight299.300 g/mol
XLogP33.500
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass299.107 Da
Monoisotopic Mass299.107 Da
Topological Polar Surface Area56.300 Ų
Heavy Atom Count22
Formal Charge0
Complexity360.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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