5-Amino-2-methylisoquinolin-1(2H)-one

Name: 5-Amino-2-methylisoquinolin-1(2H)-one
Brand: ChemScene
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CAS No. 42792-97-2
Cat. No. CS-0227464
Purity≥95%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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5-Amino-2-methylisoquinolin-1(2H)-one|CS-0227464

Structure of 42792-97-2

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General Information

CAS No. 42792-97-2
Cat. No. CS-0227464
Purity ≥95%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₀N₂O
Molecular Weight 174.20
Synonym(s) 5-Amino-2-methylisoquinolin-1-one
SMILES O=C1N(C)C=CC2=C1C=CC=C2N

Description

5-Amino-2-methylisoquinolin-1(2H)-one features a fused heterocyclic core with complementary amine and carbonyl functionalities, enabling direct incorporation into bioactive molecule scaffolds. The electron-rich isoquinolinone framework supports diverse synthetic transformations, while the methyl group enhances metabolic stability. This compound serves as a strategic building block for medicinal chemistry campaigns targeting kinase inhibitors and CNS-active agents.

Application

5-Amino-2-methylisoquinolin-1(2H)-one serves as a versatile heterocyclic building block for medicinal chemistry and materials science, enabling direct functionalization at the amino and methyl positions. Its stability under standard reaction conditions facilitates efficient derivatization via coupling, oxidation, or electrophilic substitution, while the lactam carbonyl supports hydrogen bonding in target engagement studies.

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 : H302-H315-H319-H335
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 48.02
LogP 1.1207
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Isoquinoline compounds

Key Words

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5-Amino-2-methylisoquinolin-1(2H)-one

CAS No. 42792-97-2

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