1-(5-Chloro-2-methoxyphenyl)-3-(2-methyl-4-quinolinyl)urea

Basic Information

View in Editor

CAS Number

196868-63-0

Molecular Formula

C18H16ClN3O2

Molecular Weight

341.8 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Solubility

Insuluble (6.8E-4 g/L) (25 ºC),

SMILES

View in Editor

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C18H16ClN3O2/c1-11-9-15(13-5-3-4-6-14(13)20-11)21-18(23)22-16-10-12(19)7-8-17(16)24-2/h3-10H,1-2H3,(H2,20,21,22,23)

InChIKey

YBLWOZUPHDKFOT-UHFFFAOYSA-N

LogP

4.8492200000000025

Topological Polar Surface Area

63.25 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

437

Safety Information

View Safety Information

GHS Hazard Pictograms

H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Synonyms & References

English

C18H16ClN3O2
Urea, N-(5-chloro-2-methoxyphenyl)-N'-(2-methyl-4-quinolinyl)-
BRD-K67537649-001-01-1
IGF-1R Inhibitor II
PQ-401
AC-30272
J-012727
IGF-1R Inhibitor II, PQ401 - CAS 196868-63-0
1-(5-chloro-2-methoxy-phenyl)-3-(2-methyl-4-quinolyl)urea
PQ 401
s8003
MFCD00160558
EX-A549
HMS3677F12
196868-63-0
GTPL5048
BDBM50230005
DTXSID30173352
AKOS015950814
HMS3653J17
WHA86863
CHEBI:93181
P2479
PQ401, >=98% (HPLC), powder
SCHEMBL2563976
N-(5-Chloro-2-methoxyphenyl)-N'-(2-methyl-4-quinolinyl)urea
TCMDC-125497
SW220120-1
SB19379
CCG-206759
2N3LV83S8J

MDL Number

MFCD00160558

Customs Code

2933499090

FAQ

What are the physical and chemical properties of 1-(5-Chloro-2-methoxyphenyl)-3-(2-methyl-4-quinolinyl)urea (CAS: 196868-63-0)?

1-(5-Chloro-2-methoxyphenyl)-3-(2-methyl-4-quinolinyl)urea is a crystalline compound with a molecular weight of approximately 415.3 g/mol. It has a low solubility in water but is more soluble in organic solvents like dimethylformamide (DMF). The compound is relatively stable but can react with strong acids and bases. It is typically used in pharmaceutical applications and has a melting point around 250°C.

How is 1-(5-Chloro-2-methoxyphenyl)-3-(2-methyl-4-quinolinyl)urea (CAS: 196868-63-0) typically synthesized?

1-(5-Chloro-2-methoxyphenyl)-3-(2-methyl-4-quinolinyl)urea is synthesized through a multi-step process involving the reaction of 5-chloro-2-methoxyaniline with 2-methyl-4-quinolinesulfonyl isocyanate. The synthesis typically requires the use of a catalyst and involves the formation of a urea linkage. The yield is usually around 75-85%, and the reaction is conducted under mild conditions to ensure selectivity.

What industries use 1-(5-Chloro-2-methoxyphenyl)-3-(2-methyl-4-quinolinyl)urea (CAS: 196868-63-0)?

1-(5-Chloro-2-methoxyphenyl)-3-(2-methyl-4-quinolinyl)urea is primarily used in the pharmaceutical industry for the development of new drugs. It is also utilized in some polymer and sensor applications due to its chemical properties. In the semiconductor industry, it may be used as a precursor or intermediate material.

What precautions should be taken when handling 1-(5-Chloro-2-methoxyphenyl)-3-(2-methyl-4-quinolinyl)urea (CAS: 196868-63-0)?

When handling 1-(5-Chloro-2-methoxyphenyl)-3-(2-methyl-4-quinolinyl)urea, it is essential to use appropriate personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to prevent inhalation. Spills should be cleaned up immediately using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage.