Basic information
- CAS
63500-02-7- Standard SMILES
COC(=O)C1c2ccccc2CC(=O)N1NC(=O)c1ccccc1- InChIKey
PIHMBPPUZNOXCU-UHFFFAOYSA-N- Molecular formula
- C18H16N2O4
- Average molar mass
- 324.3 g/mol
- Monoisotopic mass
- 324.111007
Names & identifiers
- Preferred name
- Methyl 2-benzamido-3-oxo-1,4-dihydroisoquinoline-1-carboxylate
- IUPAC
- methyl 2-benzamido-3-oxo-1,4-dihydroisoquinoline-1-carboxylate
Names & synonyms
methyl 2-benzamido-3-oxo-1,4-dihydroisoquinoline-1-carboxylate63500-02-7NSC308900DTXSID60316917NSC-308900DS-011416Methyl 2-(benzoylamino)-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxylateMethyl 2-benzamido-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
Database identifiers
- CAS
63500-02-7- PubChem CID
- 328783
- DTXSID
DTXSID60316917
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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