Basic information
- Standard SMILES
Cc1ccc2[nH]cc(C3=CCN(CC4COc5ccc6nc(C)ccc6c5O4)CC3)c2c1- InChIKey
CCCHDYKBEGPVAF-UHFFFAOYSA-N- Molecular formula
- C27H27N3O2
- Average molar mass
- 425.5 g/mol
- Monoisotopic mass
- 425.21032711
Names & identifiers
- Preferred name
- 2-[4-(5-Methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-ylmethyl]-8-methyl-2,3-dihydro[1,4]dioxino[2,3-f]quinoline
- IUPAC
- 8-methyl-2-[[4-(5-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline
Names & synonyms
SCHEMBL6629038CCCHDYKBEGPVAF-UHFFFAOYSA-N2-[4-(5-Methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-ylmethyl]-8-methyl-2,3-dihydro[1,4]dioxino[2,3-f]quinoline
Database identifiers
- PubChem CID
- 10180773
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 698
Related reactions
2 records
Compound notes
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