Ethyl (3-bromo-4-((1-isoquinolinylcarbonyl)amino)phenyl)acetate

HCID 58778618
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Basic information

Standard SMILES
CCOC(=O)Cc1ccc(NC(=O)c2nccc3ccccc23)c(Br)c1
InChIKey
JNOFMJOSNAFABN-UHFFFAOYSA-N
Molecular formula
C20H17BrN2O3
Average molar mass
413.3 g/mol

Names & identifiers

Preferred name
Ethyl (3-bromo-4-((1-isoquinolinylcarbonyl)amino)phenyl)acetate
IUPAC
ethyl 2-[3-bromo-4-(isoquinoline-1-carbonylamino)phenyl]acetate

Names & synonyms

SCHEMBL14491714JNOFMJOSNAFABN-UHFFFAOYSA-Nethyl (3-bromo-4-((1-isoquinolinylcarbonyl)amino)phenyl)acetate

Database identifiers

PubChem CID
58778618

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
68.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
26

Related reactions

4 records
New reaction record

Linked notes

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