Basic information
- CAS
384854-93-7- Standard SMILES
COc1cc2c(cc1OC)C(C#N)=NC(C)(C)C2- InChIKey
HKIKHCWIOYZUTN-UHFFFAOYSA-N- Molecular formula
- C14H16N2O2
- Average molar mass
- 244.29 g/mol
- Monoisotopic mass
- 244.12117776
Names & identifiers
- Preferred name
- 1-Isoquinolinecarbonitrile, 3,4-dihydro-6,7-dimethoxy-3,3-dimethyl-
- IUPAC
- 6,7-dimethoxy-3,3-dimethyl-4H-isoquinoline-1-carbonitrile
Names & synonyms
384854-93-7DTXSID403468181-Isoquinolinecarbonitrile, 3,4-dihydro-6,7-dimethoxy-3,3-dimethyl-RefChem:231184DTXCID802978906,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinoline-1-carbonitrileOprea1_449516HKIKHCWIOYZUTN-UHFFFAOYSA-NSTK524048AKOS005454672SR-01000090576SR-01000090576-1
Show more names
6,7-Dimethoxy-3,3-dimethyl-3,4-dihydro-1-isoquinolinecarbonitrile #Isoquinoline-1-carbonitrile, 3,4-dihydro-6,7-dimethoxy-3,3-dimethyl-
Database identifiers
- CAS
384854-93-7- PubChem CID
- 615331
- DTXSID
DTXSID40346818
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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