9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-6-methoxy-1-(4-pyridyl)-
Basic information
- CAS
5684-64-0- Standard SMILES
COc1ccc2[nH]c3c(c2c1)CCNC3c1ccncc1- InChIKey
DUYBPGJZMVONDM-UHFFFAOYSA-N- Molecular formula
- C17H17N3O
- Average molar mass
- 279.34 g/mol
- Monoisotopic mass
- 279.13716217
Names & identifiers
- Preferred name
- 9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-6-methoxy-1-(4-pyridyl)-
- IUPAC
- 6-methoxy-1-pyridin-4-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Names & synonyms
BRN 08946661-(4-Pyridyl)-6-methoxy-1,2,3,4-tetrahydro-beta-carboline5684-64-01,2,3,4-Tetrahydro-6-methoxy-1-(4-pyridyl)-9H-pyrido(3,4-b)indole9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-6-methoxy-1-(4-pyridyl)-RefChem:313665DTXSID309722666-Methoxy-1-(pyridin-4-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Database identifiers
- CAS
5684-64-0- PubChem CID
- 201235
- DTXSID
DTXSID30972266- Nikkaji
- J85.850A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 358
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Compound notes
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