2-(1-Aminomethyl-6,7-dimethoxy-isoquinolin-4-yl)-N-(4-methoxy-benzyl)-acetamide

HCID 46847366
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Basic information

Standard SMILES
COc1ccc(CNC(=O)Cc2cnc(CN)c3cc(OC)c(OC)cc23)cc1
InChIKey
JYVRCTLAVFJCIU-UHFFFAOYSA-N
Molecular formula
C22H25N3O4
Average molar mass
395.5 g/mol

Names & identifiers

Preferred name
2-(1-Aminomethyl-6,7-dimethoxy-isoquinolin-4-yl)-N-(4-methoxy-benzyl)-acetamide
IUPAC
2-[1-(aminomethyl)-6,7-dimethoxyisoquinolin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide

Names & synonyms

SCHEMBL3365216JYVRCTLAVFJCIU-UHFFFAOYSA-N2-(1-Aminomethyl-6,7-dimethoxy-isoquinolin-4-yl)-N-(4-methoxy-benzyl)-acetamide

Database identifiers

PubChem CID
46847366

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
95.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
29

Related reactions

2 records
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Compound notes

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