3,8-Dimethyl-1-oxo-2-phenyl-1,2-dihydro-isoquinoline-4-carboxylic acid ethyl ester

HCID 57733314
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Basic information

Standard SMILES
CCOC(=O)c1c(C)n(-c2ccccc2)c(=O)c2c(C)cccc12
InChIKey
JCIHACKBXHOEMW-UHFFFAOYSA-N
Molecular formula
C20H19NO3
Average molar mass
321.4 g/mol
Monoisotopic mass
321.13649347

Names & identifiers

Preferred name
3,8-Dimethyl-1-oxo-2-phenyl-1,2-dihydro-isoquinoline-4-carboxylic acid ethyl ester
IUPAC
ethyl 3,8-dimethyl-1-oxo-2-phenylisoquinoline-4-carboxylate

Names & synonyms

3,8-Dimethyl-1-oxo-2-phenyl-1,2-dihydro-isoquinoline-4-carboxylic acid ethyl ester1075715-18-2SCHEMBL1717246JCIHACKBXHOEMW-UHFFFAOYSA-NDB-365771

Database identifiers

PubChem CID
57733314

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
46.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
24

Related reactions

3 records
New reaction record

Compound notes

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