Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC=C(c2cccc3ccncc23)CC1- InChIKey
NOJSXNUVMOOLOA-UHFFFAOYSA-N- Molecular formula
- C19H22N2O2
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.16812795
Names & identifiers
- Preferred name
- 8-(1-t-Butyloxycarbonyl-1,2,5,6-tetrahydropyridin-4-yl)isoquinoline
- IUPAC
- tert-butyl 4-isoquinolin-8-yl-3,6-dihydro-2H-pyridine-1-carboxylate
Names & synonyms
SCHEMBL5359091NOJSXNUVMOOLOA-UHFFFAOYSA-N8-(1-t-butyloxycarbonyl-1,2,5,6-tetrahydropyridin-4-yl)isoquinoline
Database identifiers
- PubChem CID
- 21070952
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 466
Related reactions
1 records
Compound notes
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