N-(3-Ethynylphenyl)-6,7-bis{2-[(~2~H_3_)methyloxy]ethoxy}-4-quinazolinamine hydrochloride (1:1)

Basic Information

$N-(3-Ethynylphenyl)-6,7-bis{2-[(~2~H_3_)methyloxy]ethoxy}-4-quinazolinamine hydrochloride (1:1)$

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CAS Number

1189953-78-3

Molecular Formula

C22H18D6ClN3O4

Molecular Weight

389.48 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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[2H]C([2H])([2H])OCCOc1cc2c(cc1OCCOC([2H])([2H])[2H])ncnc2Nc3cccc(c3)C#C.Cl

InChI

InChI=1S/C22H23N3O4.ClH/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22;/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25);1H/i2D3,3D3;

InChIKey

GTTBEUCJPZQMDZ-HVTBMTIBSA-N

LogP

3.7322200000000025

Topological Polar Surface Area

74.73 Å²

Hydrogen Bond Donor/Acceptor

1 / 7

Synonyms & References

English

Erlotinib D6 Hydrochloride
Erlotinib-d6 Hydrochloride
N-(3-Ethynylphenyl)-6,7-bis{2-[(2H3)methyloxy]ethoxy}-4-quinazolinamine hydrochloride (1:1)
Erlotinib-d6 (hydrochloride)
Erlotinib-d
N-(3-ethynylphenyl)-6,7-bis(2-(methoxy-d3)ethoxy)quinazolin-4-amine
hydrochloride (1:1)

FAQ

What is N-(3-Ethynylphenyl)-6,7-bis{2-[(~2~H_3_)methyloxy]ethoxy}-4-quinazolinamine hydrochloride (CAS: 1189953-78-3)?

N-(3-Ethynylphenyl)-6,7-bis{2-[(~2~H_3_)methyloxy]ethoxy}-4-quinazolinamine hydrochloride is a chemical compound with the CAS number 1189953-78-3. It is a quinazolinamine derivative with unique structural properties, including the presence of a 3-ethynylphenyl group, methoxyethoxy substituents, and a quinazolinamine ring. This compound is characterized by its chemical stability and specific functional groups, which make it suitable for various applications.

What are the main uses of N-(3-Ethynylphenyl)-6,7-bis{2-[(~2~H_3_)methyloxy]ethoxy}-4-quinazolinamine hydrochloride (CAS: 1189953-78-3)?

N-(3-Ethynylphenyl)-6,7-bis{2-[(~2~H_3_)methyloxy]ethoxy}-4-quinazolinamine hydrochloride is primarily used in pharmaceutical research and development. It serves as a potential lead compound for drug discovery, especially in the areas of anti-inflammatory and analgesic therapies. Additionally, it may find applications in synthetic chemistry and as a reagent in organic synthesis.

Is N-(3-Ethynylphenyl)-6,7-bis{2-[(~2~H_3_)methyloxy]ethoxy}-4-quinazolinamine hydrochloride (CAS: 1189953-78-3) safe?

N-(3-Ethynylphenyl)-6,7-bis{2-[(~2~H_3_)methyloxy]ethoxy}-4-quinazolinamine hydrochloride is generally considered safe when handled properly. However, like many chemical compounds, it requires appropriate safety measures such as the use of gloves, goggles, and a fume hood to prevent skin contact, inhalation, and accidental ingestion. Storage should be in a secure, labeled container away from heat and direct sunlight.

How should N-(3-Ethynylphenyl)-6,7-bis{2-[(~2~H_3_)methyloxy]ethoxy}-4-quinazolinamine hydrochloride (CAS: 1189953-78-3) be stored?

N-(3-Ethynylphenyl)-6,7-bis{2-[(~2~H_3_)methyloxy]ethoxy}-4-quinazolinamine hydrochloride should be stored in a cool, dry place away from direct sunlight and heat sources. It is recommended to keep the compound in a tightly sealed, amber-colored glass container to protect it from light and potential degradation. Proper storage conditions are essential to maintain the chemical's stability and effectiveness.