2-(4-Amino-6,8-dimethoxy-isoquinolin-1-ylmethyl)-isoindole-1,3-dione

HCID 59341090
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Basic information

Standard SMILES
COc1cc(OC)c2c(CN3C(=O)c4ccccc4C3=O)ncc(N)c2c1
InChIKey
IRRLNHRXFIAXQN-UHFFFAOYSA-N
Molecular formula
C20H17N3O4
Average molar mass
363.4 g/mol

Names & identifiers

Preferred name
2-(4-Amino-6,8-dimethoxy-isoquinolin-1-ylmethyl)-isoindole-1,3-dione
IUPAC
2-[(4-amino-6,8-dimethoxyisoquinolin-1-yl)methyl]isoindole-1,3-dione

Names & synonyms

SCHEMBL3360890IRRLNHRXFIAXQN-UHFFFAOYSA-N2-(4-amino-6,8-dimethoxy-isoquinolin-1-ylmethyl)-isoindole-1,3-dione

Database identifiers

PubChem CID
59341090

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
94.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
27

Related reactions

3 records
New reaction record

Linked notes

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