N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine

Name: N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine
Brand: ChemScene
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CAS No. 162012-67-1
Cat. No. CS-M0991
Purity≥98%
MDL No.MFCD09998825

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N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine|CS-M0991

Structure of 162012-67-1

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General Information

CAS No. 162012-67-1
Cat. No. CS-M0991
Purity ≥98%
MDL No. MFCD09998825
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₇ClF₂N₄O₂
Molecular Weight 336.68
Synonym(s) N-(3-chloro-4-fluoro-phenyl)-7-fluoro-6-nitro-quinazolin-4-amine
SMILES FC1=C([N+]([O-])=O)C=C2C(NC3=CC=C(F)C(Cl)=C3)=NC=NC2=C1

Description

N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine features a quinazoline core bearing electron-deficient fluoro and nitro substituents, enhancing reactivity in kinase inhibition pathways. The 3-chloro-4-fluorophenyl group contributes to target binding affinity through hydrophobic and halogen-bonding interactions. This compound serves as a key intermediate in the synthesis of ATP-competitive kinase inhibitors used in targeted cancer therapeutics.

Application

N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine serves as a key intermediate in the synthesis of kinase-inhibiting quinazoline scaffolds. The molecule combines a nitro group at C6, a fluorine substituent at C7, and a 3-chloro-4-fluorophenyl amine handle, enabling diverse downstream transformations. Its bench-stable nature and compatibility with palladium-catalyzed cross-coupling reactions facilitate efficient construction of complex pharmaceutical architectures.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 80.95
LogP 4.2132
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Chloride

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic heterocycle compounds Quinazoline compounds

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N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine

CAS No. 162012-67-1

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