Basic information
- Standard SMILES
C=CC(OC(C)=O)c1[nH]c(=O)c2c(ccc3nc(Nc4c(Cl)cccc4Cl)n(C)c32)c1C- InChIKey
HXNZWMGLASBTBY-UHFFFAOYSA-N- Molecular formula
- C23H20Cl2N4O3
- Average molar mass
- 471.3 g/mol
Names & identifiers
- Preferred name
- 1-[2-(2,6-dichloroanilino)-1,6-dimethyl-9-oxo-8,9-dihydro-1H-imidazo[4,5-h]isoquinolin-7-yl]allyl acetate
- IUPAC
- 1-[2-(2,6-dichloroanilino)-1,6-dimethyl-9-oxo-8H-imidazo[4,5-h]isoquinolin-7-yl]prop-2-enyl acetate
Names & synonyms
SCHEMBL894452HXNZWMGLASBTBY-UHFFFAOYSA-N1-[2-(2,6-dichloroanilino)-1,6-dimethyl-9-oxo-8,9-dihydro-1H-imidazo[4,5-h]isoquinolin-7-yl]allyl acetateacetic acid 1-[2-(2,6-dichloro-phenylamino)-1,6-dimethyl-9-oxo-8,9-dihydro-1H-imidazo[4,5-h]isoquinolin-7-yl]-allyl esteracetic acid 1-[2-(2,6-dichloro-phenylamino)-1,6-dimethyl-9-oxo-8,9-dihydro-1H-imidazo[4,5-h]isoquinolin-7-yl]allyl ester
Database identifiers
- PubChem CID
- 10874375
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 796
Related reactions
7 records
Compound notes
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