1H-Pyrido(3,4-b)indol-6-ol, 2,3,4,9-tetrahydro-1-((5-methoxy-3-indolyl)methyl)-
Basic information
- CAS
61326-48-5- Standard SMILES
COc1ccc2[nH]cc(CC3NCCc4c3[nH]c3ccc(O)cc43)c2c1- InChIKey
LWCWZJHVEYXSKP-UHFFFAOYSA-N- Molecular formula
- C21H21N3O2
- Average molar mass
- 347.4 g/mol
- Monoisotopic mass
- 347.16337692
Names & identifiers
- Preferred name
- 1H-Pyrido(3,4-b)indol-6-ol, 2,3,4,9-tetrahydro-1-((5-methoxy-3-indolyl)methyl)-
- IUPAC
- 1-[(5-methoxy-1H-indol-3-yl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol
Names & synonyms
BRN 09002632,3,4,9-Tetrahydro-1-((5-methoxy-3-indolyl)methyl)-1H-pyrido(3,4-b)indol-6-ol61326-48-55-26-03-00514 (Beilstein Handbook Reference)((Methoxy-5' indolyl-3') methyl)-1 tetrahydro-2,3,4,9-1H-beta-carbolinol-6 [French]1-(5'-Methoxy-3'-indolylmethyl)-6-hydroxy-1,2,3,4-tetrahydro(9H)-pyrido(3,4-b)indole1H-Pyrido(3,4-b)indol-6-ol, 2,3,4,9-tetrahydro-1-((5-methoxy-3-indolyl)methyl)-((Methoxy-5' indolyl-3') methyl)-1 tetrahydro-2,3,4,9-1H-beta-carbolinol-6RefChem:240181DTXSID809768351-[(5-methoxy-1H-indol-3-yl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol
Database identifiers
- CAS
61326-48-5- PubChem CID
- 3045956
- DTXSID
DTXSID80976835
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 504
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