5,6,7,8-Tetrahydro-2-hexyl-3-hydroxy-4-(1-iminoethyl)isoquinolin-1(2H)-one
Basic information
- CAS
89246-51-5- Standard SMILES
CCCCCCn1c(O)c2c(c(C(C)=N)c1=O)CCCC2- InChIKey
VQDAESSHAHBQHY-UHFFFAOYSA-N- Molecular formula
- C17H26N2O2
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.19942808
Names & identifiers
- Preferred name
- 5,6,7,8-Tetrahydro-2-hexyl-3-hydroxy-4-(1-iminoethyl)isoquinolin-1(2H)-one
- IUPAC
- 4-ethanimidoyl-2-hexyl-1-hydroxy-5,6,7,8-tetrahydroisoquinolin-3-one
Names & synonyms
5,6,7,8-Tetrahydro-2-hexyl-3-hydroxy-4-(1-iminoethyl)isoquinolin-1(2H)-one1(2H)-ISOQUINOLINONE, 5,6,7,8-TETRAHYDRO-2-HEXYL-3-HYDROXY-4-(1-IMINOETHYL)-89246-51-5
Database identifiers
- CAS
89246-51-5- PubChem CID
- 55925
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 503
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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