Basic information
- Standard SMILES
Cc1ccc2c3c(ccc2n1)OCC(CN1CC(Cc2c[nH]c4ccccc24)C1)O3- InChIKey
WTKUDYIDAOVSEO-UHFFFAOYSA-N- Molecular formula
- C25H25N3O2
- Average molar mass
- 399.5 g/mol
Names & identifiers
- Preferred name
- 2-[3-(1h-Indol-3-ylmethyl)-azetidin-1-ylmethyl]-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline
- IUPAC
- 2-[[3-(1H-indol-3-ylmethyl)azetidin-1-yl]methyl]-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline
Names & synonyms
SCHEMBL4820305WTKUDYIDAOVSEO-UHFFFAOYSA-N2-[3-(1h-indol-3-ylmethyl)-azetidin-1-ylmethyl]-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline
Database identifiers
- PubChem CID
- 10023871
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 597
Related reactions
2 records
Compound notes
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