8-{6-[3-(Dimethylamino)propoxy]-3-pyridinyl}-3-methyl-1-(tetrahydro-2H-pyran-4-yl)-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one

Basic Information

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CAS Number

1821428-35-6

Molecular Formula

C26H31N5O3

Molecular Weight

461.57 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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

No data available

Melting Point

No data available

Boiling Point

628.3±55.0 °C(Predicted)

Density

1.242±0.06 g/cm3(Predicted)

Flash Point

333.8±31.5 °C

Solubility

≥23.1 mg/mL in DMSO with gentle warming; insoluble in H2O; ≥5.49 mg/mL in EtOH

SMILES

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Cn1c2cnc3ccc(cc3c2n(c1=O)C4CCOCC4)c5ccc(nc5)OCCCN(C)C

InChI

InChI=1S/C26H31N5O3/c1-29(2)11-4-12-34-24-8-6-19(16-28-24)18-5-7-22-21(15-18)25-23(17-27-22)30(3)26(32)31(25)20-9-13-33-14-10-20/h5-8,15-17,20H,4,9-14H2,1-3H3

InChIKey

AOTRIQLYUAFVSC-UHFFFAOYSA-N

LogP

3.632200000000002

pKa

9.27±0.28(Predicted)

Topological Polar Surface Area

74.41 Å²

Hydrogen Bond Donor/Acceptor

0 / 8

Complexity

687

Synonyms & References

English

AZD-0156
8-{6-[3-(Dimethylamino)propoxy]-3-pyridinyl}-3-methyl-1-(tetrahydro-2H-pyran-4-yl)-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one
8-(6-(3-(dimethylamino)propoxy)pyridin-3-yl)-3-methyl-1-(tetrahydro-2H-pyran-4-yl)-1H-imidazo[4,5-c]quinolin-2(3H)-one
8-(6-(3-(dimethylamino)propoxy)pyridin-3-yl)-3-methyl-1-(tetrahydro-2H-pyran-4-yl)-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one
CS-2218
AZ 0156
AZ0156
AZD0156
P5T0XWC07Z
GTPL9942
AZD 0156 [WHO-DD]
AOTRIQLYUAFVSC-UHFFFAOYSA-N
BDBM245474
BCP18990
s8375
SB19769
compound 64 [PMID: 29683659]
US9428503, 1
A16419
8-[6-[3-(dimethylamino)propoxy]pyridin-3-y
CID 118502708

MDL Number

MFCD30470661

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 8-{6-[3-(Dimethylamino)propoxy]-3-pyridinyl}-3-methyl-1-(tetrahydro-2H-pyran-4-yl)-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one (CAS: 1821428-35-6)?

The compound has a crystalline form and a molecular weight of approximately 544.7 g/mol. It is slightly soluble in water and organic solvents. Chemically, it shows reactivity towards basic conditions and has good stability under neutral and acidic conditions. It decomposes at temperatures above 150°C.

How is 8-{6-[3-(Dimethylamino)propoxy]-3-pyridinyl}-3-methyl-1-(tetrahydro-2H-pyran-4-yl)-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one (CAS: 1821428-35-6) typically synthesized?

The compound is typically synthesized via a condensation reaction between a pyridinone derivative and a substituted pyrazole in the presence of a base like triethylamine. This method provides good yield and high selectivity.

What industries use 8-{6-[3-(Dimethylamino)propoxy]-3-pyridinyl}-3-methyl-1-(tetrahydro-2H-pyran-4-yl)-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one (CAS: 1821428-35-6)?

The compound is used in the pharmaceutical industry for the development of new drugs. It may also find applications in the polymer industry for the synthesis of advanced materials.

What precautions should be taken when handling 8-{6-[3-(Dimethylamino)propoxy]-3-pyridinyl}-3-methyl-1-(tetrahydro-2H-pyran-4-yl)-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one (CAS: 1821428-35-6)?

When handling this compound, wear appropriate personal protective equipment (PPE), such as gloves and a lab coat. Use ventilation equipment, such as a fume hood, to reduce inhalation of vapors. Operate in a well-ventilated environment and ensure good airflow. In case of a spill, immediately notify the safety officer and follow the instructions in the safety data sheet (SDS) for cleanup.