N-(3-Aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxo-3,4-dihydro-2-quinazolinyl)-2-methylpropyl]-4-methylbenzamide

Basic Information

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CAS Number

336113-53-2

Molecular Formula

C30H33ClN4O2

Molecular Weight

517.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

707.986°C at 760 mmHg

Density

1.216

Flash Point

381.976°C

Refractive Index

1.619

SMILES

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CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C30H33ClN4O2/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3/t27-/m1/s1

InChIKey

QJZRFPJCWMNVAV-HHHXNRCGSA-N

LogP

5.594920000000005

Topological Polar Surface Area

81.22 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

803

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

(R)-N-(3-aminopropyl)-N-(1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)-2-methylpropyl)-4-methylbenzamide
SB-715992
Benzamide, N-(3-aminopropyl)-N-((1R)-1-(7-chloro-3,4-dihydro-4-oxo-3-(phenylmethyl)-2-quinazolinyl)-2-methylpropyl)-4-methyl-
AC-32851
HY-50759
QJZRFPJCWMNVAV-HHHXNRCGSA-N
BCPP000200
NS00070520
C74727
NSC-755386
Ispinesib [INN]
n-(3-aminopropyl)-n-[(1r)-1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide
BCP02450
Ispinesib
336113-53-2
Q27166496
NCGC00263174-01
CHEMBL228814
BCP9000797
UNII-BKT5F9C2NI
CS-0891
DB06188
J-019272
BRD-K64881305-001-01-1
(R)-N-(3-amino-propyl)-N-[1-(3-benzyl-7-chloro-4-oxo-3,4-dihydro-quinazolin-2-yl)-2-methyl-propyl]4-methyl-benzamide
SB 715992
Ispinesib; SB-715992
N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide
Ispinesib (SB-715992)
NSC820548
SCHEMBL3582165

MDL Number

MFCD22628831

FAQ

What regulatory guidelines apply to N-(3-Aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxo-3,4-dihydro-2-quinazolinyl)-2-methylpropyl]-4-methylbenzamide (CAS: 336113-53-2)?

N-(3-Aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxo-3,4-dihydro-2-quinazolinyl)-2-methylpropyl]-4-methylbenzamide (CAS: 336113-53-2) falls under various regulatory guidelines including GHS (Global Harmonized System of Classification and Labelling of Chemicals) for classification and labeling, REACH (Registration, Evaluation, Authorization and Restriction of Chemicals) for substance registration and management in the EU, and FDA/EPA guidelines for safety and environmental impact assessment in the US and EU respectively.

Are there alternatives to N-(3-Aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxo-3,4-dihydro-2-quinazolinyl)-2-methylpropyl]-4-methylbenzamide (CAS: 336113-53-2) in synthesis?

Alternatives to N-(3-Aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxo-3,4-dihydro-2-quinazolinyl)-2-methylpropyl]-4-methylbenzamide (CAS: 336113-53-2) in synthesis include related analogs such as 3-benzyl-7-chloro-4-oxo-3,4-dihydro-2-quinazoline derivatives, or using isomers like (1S)-1-(3-benzyl-7-chloro-4-oxo-3,4-dihydro-2-quinazolinyl)-2-methylpropyl groups as substitution. Common alternative reagents include various amines and quinazoline derivatives.

What is the market or research trend for N-(3-Aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxo-3,4-dihydro-2-quinazolinyl)-2-methylpropyl]-4-methylbenzamide (CAS: 336113-53-2)?

The market and research trend for N-(3-Aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxo-3,4-dihydro-2-quinazolinyl)-2-methylpropyl]-4-methylbenzamide (CAS: 336113-53-2) is increasingly focusing on its potential applications in pharmaceuticals and materials science. Research is exploring its use as a potential therapeutic agent and in the development of novel materials with unique properties. Demand is likely to grow with the advancement of these research fields.

How should waste containing N-(3-Aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxo-3,4-dihydro-2-quinazolinyl)-2-methylpropyl]-4-methylbenzamide (CAS: 336113-53-2) be handled?

Waste containing N-(3-Aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxo-3,4-dihydro-2-quinazolinyl)-2-methylpropyl]-4-methylbenzamide (CAS: 336113-53-2) should be collected in appropriate containers and stored safely to prevent leakage. Incineration or professional waste disposal services are recommended for proper disposal. Ensure that the waste is handled according to local and international environmental protection standards to minimize environmental impact.