Basic information
- Standard SMILES
CN1CCc2c(c3cc(Cl)ccc3n2CCn2cccc2)C1- InChIKey
MIRSYRNCOOOOKN-UHFFFAOYSA-N- Molecular formula
- C18H20ClN3
- Average molar mass
- 313.8 g/mol
Names & identifiers
- Preferred name
- 8-Chloro-2-methyl-5-(2-pyrrol-1-yl-ethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
- IUPAC
- 8-chloro-2-methyl-5-(2-pyrrol-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
Names & synonyms
SCHEMBL4141198MIRSYRNCOOOOKN-UHFFFAOYSA-N8-Chloro-2-methyl-5-(2-pyrrol-1-yl-ethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
Database identifiers
- PubChem CID
- 57876216
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 385
Related reactions
5 records
Compound notes
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