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

HCID 57733414
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cccc2c(C(=O)O)c(C)n(-c3ccccc3)c(=O)c12
InChIKey
OEXLAVFJHYNFSO-UHFFFAOYSA-N
Molecular formula
C18H15NO3
Average molar mass
293.3 g/mol

Names & identifiers

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

Names & synonyms

3,8-Dimethyl-1-oxo-2-phenyl-1,2-dihydro-isoquinoline-4-carboxylic acid1075715-35-3SCHEMBL1718661OEXLAVFJHYNFSO-UHFFFAOYSA-NDB-356705

Database identifiers

PubChem CID
57733414

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
57.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
22

Related reactions

2 records
New reaction record

Compound notes

Loading…

3,8-Dimethyl-1-oxo-2-phenyl-1,2-dihydro-isoquinoline-4-carboxylic acid (HCID 57733414)｜Huagongshe