Basic information
- Standard SMILES
COC(=O)c1ccc2ccn(Cc3cccc(N)c3)c(=O)c2c1- InChIKey
TXMGTEJUYGKVQS-UHFFFAOYSA-N- Molecular formula
- C18H16N2O3
- Average molar mass
- 308.3 g/mol
Names & identifiers
- Preferred name
- Methyl 2-(3-aminobenzyl)-1-oxo-1,2-dihydroisoquinoline-7-carboxylate
- IUPAC
- methyl 2-[(3-aminophenyl)methyl]-1-oxoisoquinoline-7-carboxylate
Names & synonyms
SCHEMBL2611535TXMGTEJUYGKVQS-UHFFFAOYSA-Nmethyl 2-(3-aminobenzyl)-1-oxo-1,2-dihydroisoquinoline-7-carboxylate
Database identifiers
- PubChem CID
- 67282939
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 491
Related reactions
3 records
Compound notes
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