1-[1-(3,4-Dimethoxyphenyl)ethenyl]-6,7-dimethoxyisoquinoline
Basic information
- CAS
58024-45-6- Standard SMILES
C=C(c1ccc(OC)c(OC)c1)c1nccc2cc(OC)c(OC)cc12- InChIKey
XAJQQWJXGJCHBQ-UHFFFAOYSA-N- Molecular formula
- C21H21NO4
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.14705815
Names & identifiers
- Preferred name
- 1-[1-(3,4-Dimethoxyphenyl)ethenyl]-6,7-dimethoxyisoquinoline
- IUPAC
- 1-[1-(3,4-dimethoxyphenyl)ethenyl]-6,7-dimethoxyisoquinoline
Names & synonyms
NSC3391961-[1-(3,4-dimethoxyphenyl)ethenyl]-6,7-dimethoxyisoquinoline58024-45-6Oprea1_729796SCHEMBL2463171DTXSID60319064NSC-339196Isoquinoline,4-dimethoxyphenyl)ethenyl]-6,7-dimethoxy-1-[1-(3,4-dimethoxyphenyl)vinyl]-6,7-dimethoxy-isoquinoline1-[1-(3,4-Dimethoxyphenyl)ethen-1-yl]-6,7-dimethoxyisoquinolineIsoquinolinium, 1-[1-(3,4-dimethoxyphenyl)ethenyl]-6,7-dimethoxy-
Database identifiers
- CAS
58024-45-6- PubChem CID
- 334353
- DTXSID
DTXSID60319064
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 471
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Related reactions
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Compound notes
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