N-(4-Isopropoxyphenyl)-4-{6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinyl}-1-piperazinecarboxamide

Basic Information

View in Editor

CAS Number

387867-13-2

Molecular Formula

C31H42N6O4

Molecular Weight

562.72 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

Melting Point

177-178°C

Boiling Point

769.5°C at 760 mmHg

Density

1.213

Flash Point

419.2 °C

Refractive Index

1.61

SMILES

View in Editor

CC(C)OC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCCC5

InChI

InChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38)

InChIKey

UXXQOJXBIDBUAC-UHFFFAOYSA-N

LogP

5.034500000000005

Topological Polar Surface Area

92.29 Å²

Hydrogen Bond Donor/Acceptor

1 / 10

Complexity

783

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

AC-1659
Q-201778
Tandutinib (MLN518)
A824282
N-(4-isopropoxyphenyl)-4-[6-methoxy-7-(3-piperidinopropoxy)quinazolin-4-yl]piperazine-1-carboxamide
UNII-E1IO3ICJ9A
MLN518, Tandutinib
BRD-K89162000-001-01-5
BDBM13535
CHEMBL124660
Tox21_113366
SW218125-2
CT 53518
NSC-726292
SB19380
Tandutinib [USAN]
NSC726292
Q27095683
BCP01370
4-[6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinyl]-N-(4-propan-2-yloxyphenyl)-1-piperazinecarboxamide
NCGC00241097-07
NCGC00241097-02
ES-0051
DB05465
HMS3264G08
CT-53518
NSC 759851
AB01562955_01
Tandutinib (USAN/INN)
4-[6-Methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-yl]-N-[4-(1-methylethoxy)phenyl]piperazine-1-carboxamide
HMS3244A22

MDL Number

MFCD09954147

Customs Code

29154000

FAQ

What regulatory guidelines apply to N-(4-Isopropoxyphenyl)-4-{6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinyl}-1-piperazinecarboxamide (CAS: 387867-13-2)?

This compound (CAS: 387867-13-2) falls under the control of various regulatory guidelines including the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations in the European Union, and FDA/EPA requirements. Manufacturers and importers must comply with GHS for hazard communication, REACH for registration, evaluation, authorization, and restriction, and FDA/EPA for safety and environmental protection.

Are there alternatives to N-(4-Isopropoxyphenyl)-4-{6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinyl}-1-piperazinecarboxamide (CAS: 387867-13-2) in synthesis?

Several alternatives can be used in the synthesis of N-(4-Isopropoxyphenyl)-4-{6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinyl}-1-piperazinecarboxamide (CAS: 387867-13-2), including different piperidine derivatives and quinazoline analogs. Common alternatives include isomers with similar functional groups, and reagents such as 3-(1-piperidinyl)-1-propanol and methoxy derivatives of quinazolines.

What is the market or research trend for N-(4-Isopropoxyphenyl)-4-{6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinyl}-1-piperazinecarboxamide (CAS: 387867-13-2)?

The market for N-(4-Isopropoxyphenyl)-4-{6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinyl}-1-piperazinecarboxamide (CAS: 387867-13-2) is primarily driven by its use in pharmaceuticals and research. Recent trends indicate a growing interest in its applications for treating certain neurological conditions and as a potential therapeutic agent. Research trends focus on understanding its pharmacological properties and expanding its utility in various medical fields.

How should waste containing N-(4-Isopropoxyphenyl)-4-{6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinyl}-1-piperazinecarboxamide (CAS: 387867-13-2) be handled?

Waste containing N-(4-Isopropoxyphenyl)-4-{6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinyl}-1-piperazinecarboxamide (CAS: 387867-13-2) should be collected in appropriate containers and disposed of through incineration or professional waste disposal services. Environmental protection measures include ensuring proper containment to prevent contamination, and adherence to local and national regulations for hazardous waste management. Safe handling and disposal practices are crucial to avoid environmental and health risks.