(2E)-N-{4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl}-4-(1-piperidinyl)-2-butenamide

Basic Information

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CAS Number

1110813-31-4

Molecular Formula

C24H25ClFN5O2

Molecular Weight

469.95 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

665.7±55.0°C at 760 mmHg

Flash Point

356.4±31.5 °C

Vapor Pressure

0.0±2.0 mmHg at 25°C

SMILES

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COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN4CCCCC4

InChI

InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+

InChIKey

LVXJQMNHJWSHET-AATRIKPKSA-N

LogP

5.1551000000000045

Topological Polar Surface Area

79.38000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

665

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

pf-299804
Dacomitinib
Dacomitinib (PF299804, PF299)
(E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide
Dacomitinib (PF299804)
PF299804
(2E)-N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide
(2e)-N-{4-[(3-Chloro-4-Fluorophenyl)amino]-7-Methoxyquinazolin-6-Yl}-4-(Piperidin-1-Yl)but-2-Enamide
Dacomitinib [USAN]
Dacomitinib,PF299804
dacomitinib (pan-HER inhibitor)
PF-299
(E)-N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl]-4-(piperidin-1-yl)but-2-enamide
pf00299804
PF299
2XJX250C20
(E)-N-(4-((3-chloro-4-fluorophenyl)aMino)-7-Methoxyquinazolin-6-yl)-4-(piperidin-1-yl)but-2-enaMide
C24H25ClFN5O2
Dacomitinib [USAN:INN]
dac
Viz
PF-00299804
PF-299804
(2E)-N-[4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide
PF-00299804-03
PF 00299804
(E)-N-(4-((3-chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)-4-(piperidin-1-yl)but-2-enamide

MDL Number

MFCD19443734

Customs Code

29335990

FAQ

What is (2E)-N-{4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl}-4-(1-piperidinyl)-2-butenamide (CAS: 1110813-31-4)?

This compound is a synthetic organic molecule with the CAS number 1110813-31-4. It contains a quinazolinyl ring substituted with 3-chloro-4-fluorophenyl, methoxy, and piperidinyl groups, along with a butenamide functional group. The compound is typically a solid at room temperature and has a molecular weight of approximately 463.5 g/mol. It exhibits moderate solubility in organic solvents and is primarily used in pharmaceutical research for its potential biological activity.

What are the main uses of (2E)-N-{4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl}-4-(1-piperidinyl)-2-butenamide (CAS: 1110813-31-4)?

The compound is mainly used in pharmaceutical development as a potential inhibitor for enzymes or receptors, particularly in medicinal chemistry for drug discovery. It may serve as an intermediate in synthesizing therapeutic agents targeting neurological disorders or cancer-related pathways. Additionally, it is explored in research for its chemical properties and applications in chemical synthesis.

Is (2E)-N-{4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl}-4-(1-piperidinyl)-2-butenamide (CAS: 1110813-31-4) safe?

Safety of this compound requires adherence to standard chemical handling protocols. While specific toxicity data may be limited, it is advisable to use personal protective equipment (PPE) and work in a well-ventilated area. Avoid direct skin or eye contact, and follow OSHA guidelines for proper disposal. Always consult safety data sheets (SDS) for detailed risk assessments and protective measures.

How should (2E)-N-{4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl}-4-(1-piperidinyl)-2-butenamide (CAS: 1110813-31-4) be stored?

Store this compound in a cool, dry place (ideally below 25°C), away from direct light. Use airtight, light-resistant containers made of glass or stainless steel to maintain stability. Keep humidity levels low and ensure proper ventilation to prevent degradation. Avoid exposure to heat or moisture, as these can compromise its chemical integrity and shelf life.