Basic information
- CAS
79664-58-7- Standard SMILES
COC1=C(C)C(=O)c2ccnc(C)c2C1=O- InChIKey
CYEQNCOGYHCBOC-UHFFFAOYSA-N- Molecular formula
- C12H11NO3
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.07389321
Overview
antimicrobial metabolite from marine sponge Reniera; structure given in first source
Names & identifiers
- Preferred name
- 7-Methoxy-1,6-dimethyl-5,8-dihydroisoquinoline-5,8-dione
- IUPAC
- 7-methoxy-1,6-dimethylisoquinoline-5,8-dione
- English name
- 7-methoxy-1,6-dimethyl-5,8-dihydroisoquinoline-5,8-dione
- Molecular weight
- 0
Names & synonyms
79664-58-7MDDHQ7-Methoxy-1,6-dimethyl-5,8-dihydroisoquinoline-5,8-dioneDTXSID10229826RefChem:914359DTXCID601523175,8-Isoquinolinedione, 7-methoxy-1,6-dimethyl-7-Methoxy-1,6-dimethyl-5,8-isoquinolinedione1,6-dimethyl-7-methoxy-5,8-dihydroisoquinoline-5,8-dioneCHEMBL506898SCHEMBL301323267-methoxy-1,6-dimethyl-isoquinoline-5,8-dione
Show more names
InChI=1/C12H11NO3/c1-6-10(14)8-4-5-13-7(2)9(8)11(15)12(6)16-3/h4-5H,1-3H
Database identifiers
- CAS
79664-58-7- PubChem CID
- 72191
- DTXSID
DTXSID10229826- ChEMBL
CHEMBL506898- Nikkaji
- J863.224C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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