Basic information
- CAS
4511-38-0- Standard SMILES
COc1ccc2[nH]c3c(c2c1)CCN=C3c1ccncc1- InChIKey
ASGRFXYHQTZSQW-UHFFFAOYSA-N- Molecular formula
- C17H15N3O
- Average molar mass
- 277.32 g/mol
- Monoisotopic mass
- 277.12151211
Names & identifiers
- Preferred name
- 3H-Pyrido(3,4-b)indole, 4,9-dihydro-6-methoxy-1-(4-pyridinyl)-
- IUPAC
- 6-methoxy-1-pyridin-4-yl-4,9-dihydro-3H-pyrido[3,4-b]indole
Names & synonyms
BRN 08232963H-Pyrido(3,4-b)indole, 4,9-dihydro-6-methoxy-1-(4-pyridinyl)-4511-38-06-Methoxy-1-(4-pyridyl)-3,4-dihydro-beta-carboline4,9-Dihydro-6-methoxy-1-(4-pyridinyl)-3H-pyrido(3,4-b)indoleDTXSID301963895-26-03-00386 (Beilstein Handbook Reference)RefChem:283304DTXCID901188806-methoxy-1-(pyridin-4-yl)-4,9-dihydro-3H-pyrido[3,4-b]indole
Database identifiers
- CAS
4511-38-0- PubChem CID
- 199602
- DTXSID
DTXSID30196389
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 50.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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