5-[(2,5-Dimethoxyphenyl)methyl]-3,6,7,8-tetrahydroimidazo[4,5-g]isoquinolin-2-one
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Basic information
- CAS
165615-84-9- Standard SMILES
COc1ccc(OC)c(CC2=NCCc3cc4[nH]c(=O)[nH]c4cc32)c1- InChIKey
DJLWQKOTATZFAM-UHFFFAOYSA-N- Molecular formula
- C19H19N3O3
- Average molar mass
- 337.4 g/mol
- Monoisotopic mass
- 337.14264148
Names & identifiers
- Preferred name
- 5-[(2,5-Dimethoxyphenyl)methyl]-3,6,7,8-tetrahydroimidazo[4,5-g]isoquinolin-2-one
- IUPAC
- 5-[(2,5-dimethoxyphenyl)methyl]-1,3,7,8-tetrahydroimidazo[4,5-g]isoquinolin-2-one
- English name
- 2H-Imidazo[4,5-g]isoquinolin-2-one, 5-[(2,5-dimethoxyphenyl)methyl]-1,3,7,8-tetrahydro-
- Molecular formula
- C19H19N3O3
- Molecular weight
- 337.37
Names & synonyms
165615-84-92H-Imidazo[4,5-g]isoquinolin-2-one, 5-[(2,5-dimethoxyphenyl)methyl]-1,3,7,8-tetrahydro-5-[(2,5-dimethoxyphenyl)methyl]-3,6,7,8-tetrahydroimidazo[4,5-g]isoquinolin-2-one5-[(2,5-Dimethoxyphenyl)methyl]-1,3,7,8-tetrahydroimidazo[4,5-g]isoquinolin-2-one2H-Imidazo[4,5-g]isoquinolin-2-one, 5-[(2,5-dimethoxyphenyl)methyl]-1,3,7,8-tetrahydro-
Database identifiers
- CAS
165615-84-9- PubChem CID
- 137221321
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 538
Physicochemical properties
- Boiling point
- 443 · 443.0±45.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 13.58 · 13.58±0.40(Predicted)
Related reactions
0 records
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Compound notes
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