3-{2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl}-2,4(1H,3H)-quinazolinedione

Basic Information

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CAS Number

74050-98-9

Molecular Formula

C22H22FN3O3

Molecular Weight

395.43 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

Basic Physical Properties

Melting Point

231.0 to 235.0 deg-C

Density

1.281

Solubility

DMF: 10 mg/mL, clear, colorless

Refractive Index

1.592

SMILES

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C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=O

InChI

InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)

InChIKey

FPCCSQOGAWCVBH-UHFFFAOYSA-N

LogP

2.423800000000001

pKa

7.5(at 25℃)

Topological Polar Surface Area

75.17 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

627

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

SCHEMBL34294
3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]-ethyl]-2,4-[1H, 3H]-quinazolinedione
Q415997
Ketanserine [INN-French]
CS-6055
PDSP2_000634
KETANSERIN [USAN]
NCGC00024865-03
3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-2,4(1H,3H)-quinazolinedione
SDCCGSBI-0051158.P004
A838000
NCGC00021146-07
3-(2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl)-2,4(1H,3H)-quinazolinedione #
3-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-1H-quinazoline-2,4-dione;Ketanserin
KETANSERIN [WHO-DD]
Ketanserin tartrate
BDBM21395
3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione
DB12465
BRD-K49671696-347-02-8
Perketan
Perketal
Serefrex
UNII-97F9DE4CT4
HMS2094I03
SPECTRUM1505346
Serepress
HMS3887G17
[3H]ketanserin
3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-2,4-(1H,3H)-quinazolinedione
Tox21_110865_1

MDL Number

MFCD00083392

Customs Code

2933990090

FAQ

What is 3-{2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl}-2,4(1H,3H)-quinazolinedione (CAS: 74050-98-9)?

3-{2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl}-2,4(1H,3H)-quinazolinedione (CAS 74050-98-9) is a synthetic organic compound with a complex structure containing a quinazolinedione core and a substituted piperidine group. It is known for its potential applications in medicinal chemistry, particularly in the development of drugs targeting specific biological pathways. The compound exhibits good solubility in polar solvents and is typically a solid at room temperature.

What are the main uses of 3-{2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl}-2,4(1H,3H)-quinazolinedione (CAS: 74050-98-9)?

This compound is primarily used in pharmaceutical research for its potential as an inhibitor of protein kinases, which are involved in various disease mechanisms. It may also find applications in the synthesis of other bioactive molecules and in drug development pipelines. Due to its chemical structure, it is of interest in the study of molecular interactions and therapeutic targeting.

Is 3-{2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl}-2,4(1H,3H)-quinazolinedione (CAS: 74050-98-9) safe?

While safety data for this specific compound may be limited, it is generally considered to have moderate toxicity based on its chemical structure. Proper handling, including the use of personal protective equipment (PPE), is recommended. It should be used in accordance with safety standards for chemical substances, especially when working with potentially reactive or harmful compounds.

How should 3-{2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl}-2,4(1H,3H)-quinazolinedione (CAS: 74050-98-9) be stored?

This compound should be stored in a cool, dry, and dark place, away from moisture and light. It is best kept in a sealed container at a temperature below 25°C. Storage in a well-ventilated area is recommended to prevent exposure to air. Avoid contact with incompatible substances to ensure stability and safety.