Basic information
- CAS
36040-30-9- Standard SMILES
COc1ccc2c(c1)C(N1CCN(C)CC1)c1cccnc1CC2- InChIKey
KZKGAKPGDZFAIK-UHFFFAOYSA-N- Molecular formula
- C20H25N3O
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.19976243
Names & identifiers
- Preferred name
- 5H-Benzo(4,5)cyclohepta(1,2-b)pyridine, 10,11-dihydro-7-methoxy-5-(N-methylpiperazinyl)-
- IUPAC
- 14-methoxy-2-(4-methylpiperazin-1-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
- English name
- 10,11-Dihydro-7-methoxy-5-(4-methyl-1-piperazinyl)-5H-benzo[4,5]cyclohepta[1,2-b]pyridine
- Molecular weight
- 0
Names & synonyms
BRN 083836936040-30-910,11-Dihydro-7-methoxy-5-(N-methylpiperazinyl)-5H-benzo(4,5)cyclohepta(1,2-b)pyridine5H-Benzo(4,5)cyclohepta(1,2-b)pyridine, 10,11-dihydro-7-methoxy-5-(N-methylpiperazinyl)-RefChem:305297DTXSID409574487-Methoxy-5-(4-methylpiperazin-1-yl)-10,11-dihydro-5H-benzo[4,5]cyclohepta[1,2-b]pyridine10,11-Dihydro-7-methoxy-5-(4-methyl-1-piperazinyl)-5H-benzo[4,5]cyclohepta[1,2-b]pyridine
Database identifiers
- CAS
36040-30-9- PubChem CID
- 37352
- DTXSID
DTXSID40957448- Nikkaji
- J41.279A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 28.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 410
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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