Galipine
Basic information
- CAS
525-68-8- Standard SMILES
COc1ccc(CCc2cc(OC)c3ccccc3n2)cc1OC- InChIKey
XYXVQWAPEQXRET-UHFFFAOYSA-N- Molecular formula
- C20H21NO3
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.15214353
Names & identifiers
- Preferred name
- Galipine
- IUPAC
- 2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxyquinoline
- English name
- galipine
- Molecular formula
- C20H21NO3
- Molecular weight
- 323.39
Names & synonyms
Galipine2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxyquinoline88O0DY329TGALIPINE [MI]UNII-88O0DY329TDTXSID00878483EINECS 208-379-6Quinoline, 2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2-(2-(3,4-DIMETHOXYPHENYL)ETHYL)-4-METHOXYQUINOLINEQUINOLINE, 2-(2-(3,4-DIMETHOXYPHENYL)ETHYL)-4-METHOXY-RefChem:142166DTXCID801016529
Show more names
2-(3,4-dimethoxyphen-ethyl)-4-methoxyquinoline
208-379-6XYXVQWAPEQXRET-UHFFFAOYSA-N525-68-8GalipinC3a GalipineSCHEMBL4658526CHEMBL5201363AKOS000277141
Database identifiers
- CAS
525-68-8- PubChem CID
- 68235
- DTXSID
DTXSID00878483- ChEMBL
CHEMBL5201363- UNII
- 88O0DY329T
- EC Number
- 208-379-6
- Nikkaji
- J182.286A
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 378
Physicochemical properties
- Melting point
- 116 ° · 116°
- Boiling point
- 461.86 °C · 461.86°C (rough estimate)
- Density
- 1.1773 · 1.1773 (rough estimate)
- refractive index
- 1.58 · 1.5800 (estimate)
- pka
- 6.65 · 6.65±0.50(Predicted)
- FDA UNII
- 88 O0DY329T · 88O0DY329T
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Related reactions
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Compound notes
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