[6,7-Dimethoxy-4-(4-methoxy-benzylcarbamoyl)-isoquinolin-1-ylmethyl]-carbamic acid tert-butyl ester

HCID 68614449
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(CNC(=O)c2cnc(CNC(=O)OC(C)(C)C)c3cc(OC)c(OC)cc23)cc1
InChIKey
YUZPUPIGIBRTFU-UHFFFAOYSA-N
Molecular formula
C26H31N3O6
Average molar mass
481.5 g/mol

Names & identifiers

Preferred name
[6,7-Dimethoxy-4-(4-methoxy-benzylcarbamoyl)-isoquinolin-1-ylmethyl]-carbamic acid tert-butyl ester
IUPAC
tert-butyl N-[[6,7-dimethoxy-4-[(4-methoxyphenyl)methylcarbamoyl]isoquinolin-1-yl]methyl]carbamate

Names & synonyms

SCHEMBL3365143YUZPUPIGIBRTFU-UHFFFAOYSA-N[6,7-Dimethoxy-4-(4-methoxy-benzylcarbamoyl)-isoquinolin-1-ylmethyl]-carbamic acid tert-butyl ester

Database identifiers

PubChem CID
68614449

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
108 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
10
Heavy atoms
35

Related reactions

4 records
New reaction record

Linked notes

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