[6,8-Dimethoxy-4-(methyl-pyridin-3-ylmethyl-carbamoyl)-isoquinolin-1-ylmethyl]-carbamic acid tert-butyl ester

HCID 68614078

Basic information

Standard SMILES
COc1cc(OC)c2c(CNC(=O)OC(C)(C)C)ncc(C(=O)N(C)Cc3cccnc3)c2c1
InChIKey
ZEPTZZWVBSFIGR-UHFFFAOYSA-N
Molecular formula
C25H30N4O5
Average molar mass
466.5 g/mol

Names & identifiers

Preferred name
[6,8-Dimethoxy-4-(methyl-pyridin-3-ylmethyl-carbamoyl)-isoquinolin-1-ylmethyl]-carbamic acid tert-butyl ester
IUPAC
tert-butyl N-[[6,8-dimethoxy-4-[methyl(pyridin-3-ylmethyl)carbamoyl]isoquinolin-1-yl]methyl]carbamate

Names & synonyms

SCHEMBL3363987ZEPTZZWVBSFIGR-UHFFFAOYSA-N[6,8-dimethoxy-4-(methyl-pyridin-3-ylmethyl-carbamoyl)-isoquinolin-1-ylmethyl]-carbamic acid tert-butyl ester

Database identifiers

PubChem CID
68614078

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
103 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
34

Related reactions

4 records

Linked notes

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