Methyl 7,8-bis(acetyloxy)-3-isoquinolinecarboxylate
Basic information
- CAS
142822-86-4- Standard SMILES
COC(=O)c1cc2ccc(OC(C)=O)c(OC(C)=O)c2cn1- InChIKey
IPAJXTAZSRNPTR-UHFFFAOYSA-N- Molecular formula
- C15H13NO6
- Average molar mass
- 303.27 g/mol
- Monoisotopic mass
- 303.07428713
Names & identifiers
- Preferred name
- Methyl 7,8-bis(acetyloxy)-3-isoquinolinecarboxylate
- IUPAC
- methyl 7,8-diacetyloxyisoquinoline-3-carboxylate
Names & synonyms
Methyl 7,8-bis(acetyloxy)-3-isoquinolinecarboxylate142822-86-4M3EJU8X3MAUNII-M3EJU8X3MANSC 655249NSC-655249DTXSID801621953-Isoquinolinecarboxylic acid, 7,8-bis(acetyloxy)-, methyl esterRefChem:157729DTXCID6084686NSC655249methyl 7,8-diacetoxyisoquinoline-3-carboxylate
Show more names
SCHEMBL9385785CHEMBL1972312NCI60_019103METHYL 7,8-BIS(ACETYLOXY)ISOQUINOLINE-3-CARBOXYLATE3-Isoquinolinecarboxylic acid,8-bis(acetyloxy)-, methyl ester
Database identifiers
- CAS
142822-86-4- PubChem CID
- 375465
- DTXSID
DTXSID80162195- ChEMBL
CHEMBL1972312- UNII
- M3EJU8X3MA
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 91.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 451
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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