7-{2-[4-(5-Bromo-pyridin-2-ylmethoxy)-2-oxo-2H-pyridin-1-yl]-ethyl}-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester

HCID 67006551
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCc2ccc(CCn3ccc(OCc4ccc(Br)cn4)cc3=O)cc2C1
InChIKey
MNWQSIWPTRDRIM-UHFFFAOYSA-N
Molecular formula
C27H30BrN3O4
Average molar mass
540.4 g/mol

Names & identifiers

Preferred name
7-{2-[4-(5-Bromo-pyridin-2-ylmethoxy)-2-oxo-2H-pyridin-1-yl]-ethyl}-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 7-[2-[4-[(5-bromo-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Names & synonyms

SCHEMBL1364697MNWQSIWPTRDRIM-UHFFFAOYSA-N7-{2-[4-(5-Bromo-pyridin-2-ylmethoxy)-2-oxo-2H-pyridin-1-yl]-ethyl}-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
67006551

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
72 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
35

Related reactions

2 records
New reaction record

Compound notes

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