Basic information
- CAS
111412-71-6- Standard SMILES
CC1Oc2ccccc2OC1CN1CCCc2ccccc21- InChIKey
CFWSHLUBPKORIY-UHFFFAOYSA-N- Molecular formula
- C19H21NO2
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.15722891
Names & identifiers
- Preferred name
- Quinoline, 1,2,3,4-tetrahydro-1-(3-methyl-1,4-benzodioxan-2-ylmethyl)-
- IUPAC
- 1-[(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-3,4-dihydro-2H-quinoline
Names & synonyms
DTXSID001153812Quinoline, 1,2,3,4-tetrahydro-1-(3-methyl-1,4-benzodioxan-2-ylmethyl)-1-[(3-Methyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline111412-71-6
Database identifiers
- CAS
111412-71-6- PubChem CID
- 165344591
- DTXSID
DTXSID001153812
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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