Basic information
- Standard SMILES
COc1ccc2cc(-c3ccc(OCCOCCOCCOCCN=[N+]=[N-])cc3)[nH]c(=O)c2c1- InChIKey
UGGXWRARSQTGEQ-UHFFFAOYSA-N- Molecular formula
- C24H28N4O6
- Average molar mass
- 468.5 g/mol
- Monoisotopic mass
- 468.20088463
Names & identifiers
- Preferred name
- 3-(4-(2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)ethoxy)phenyl)-7-methoxyisoquinolin-1(2H)-one
- IUPAC
- 3-[4-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]phenyl]-7-methoxy-2H-isoquinolin-1-one
Names & synonyms
SCHEMBL14859639UGGXWRARSQTGEQ-UHFFFAOYSA-N3-(4-(2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)ethoxy)phenyl)-7-methoxyisoquinolin-1(2H)-one
Database identifiers
- PubChem CID
- 86680973
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 15
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 691
Related reactions
2 records
Compound notes
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