Basic information
- CAS
83348-48-5- Standard SMILES
C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC(=O)CC(C)C)cc12- InChIKey
HBFSEHSHZJQUEN-UHFFFAOYSA-N- Molecular formula
- C24H30N2O3
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.22564282
Names & identifiers
- Preferred name
- 9-Hydroxycinchonan-6'-yl 3-methylbutanoate
- IUPAC
- [4-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-hydroxymethyl]quinolin-6-yl] 3-methylbutanoate
Names & synonyms
DTXSID2010033389-hydroxycinchonan-6'-yl 3-methylbutanoate
Database identifiers
- CAS
83348-48-5- PubChem CID
- 54992
- DTXSID
DTXSID201003338
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 595
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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