[4-(3,4-Dihydro-1H-isoquinoline-2-carbonyl)-6,8-dimethoxy-isoquinolin-1-ylmethyl]-carbamic acid tert-butyl ester

HCID 59341075

Basic information

Standard SMILES
COc1cc(OC)c2c(CNC(=O)OC(C)(C)C)ncc(C(=O)N3CCc4ccccc4C3)c2c1
InChIKey
FKBICYKGORZLME-UHFFFAOYSA-N
Molecular formula
C27H31N3O5
Average molar mass
477.6 g/mol

Names & identifiers

Preferred name
[4-(3,4-Dihydro-1H-isoquinoline-2-carbonyl)-6,8-dimethoxy-isoquinolin-1-ylmethyl]-carbamic acid tert-butyl ester
IUPAC
tert-butyl N-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-6,8-dimethoxyisoquinolin-1-yl]methyl]carbamate

Names & synonyms

SCHEMBL3361149FKBICYKGORZLME-UHFFFAOYSA-N[4-(3,4-Dihydro-1H-isoquinoline-2-carbonyl)-6,8-dimethoxy-isoquinolin-1-ylmethyl]-carbamic acid tert-butyl ester

Database identifiers

PubChem CID
59341075

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
90 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
35

Related reactions

3 records

Linked notes

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