4-amino-7-methoxy-3-(4-methoxyphenyl)isoquinolin-1(2H)-one

HCID 53380666
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Basic information

Standard SMILES
COc1ccc(-c2[nH]c(=O)c3cc(OC)ccc3c2N)cc1
InChIKey
IFXHMKYCFMUPFI-UHFFFAOYSA-N
Molecular formula
C17H16N2O3
Average molar mass
296.32 g/mol

Names & identifiers

Preferred name
4-amino-7-methoxy-3-(4-methoxyphenyl)isoquinolin-1(2H)-one
IUPAC
4-amino-7-methoxy-3-(4-methoxyphenyl)-2H-isoquinolin-1-one

Names & synonyms

SCHEMBL2431841IFXHMKYCFMUPFI-UHFFFAOYSA-N4-amino-7-methoxy-3-(4-methoxyphenyl)isoquinolin-1(2H)-one

Database identifiers

PubChem CID
53380666

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
73.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
22

Related reactions

2 records
New reaction record

Compound notes

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