Basic information
- CAS
108307-65-9- Standard SMILES
CN1CCN(c2ccc3c(n2)N2CCN=C2C(c2ccccc2)=[N+]3[O-])CC1- InChIKey
CKRPRSXFNWNTOW-UHFFFAOYSA-N- Molecular formula
- C20H22N6O
- Average molar mass
- 362.4 g/mol
- Monoisotopic mass
- 362.18550935
Overview
a fused pyrazine mono-N-oxide; structure given in first source
Names & identifiers
- Preferred name
- Rb 90740
- IUPAC
- 12-(4-methylpiperazin-1-yl)-8-oxido-7-phenyl-2,5,13-triaza-8-azoniatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaene
Names & synonyms
108307-65-9RB-90740Rb 90740DTXSID40148495RB90740RefChem:178680DTXCID607098612-(4-Methylpiperazin-1-yl)-8-oxido-7-phenyl-2,5,13-triaza-8-azoniatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaeneSCHEMBL13041725Imidazo(1,2-a)pyrido(3,2-e)pyrazine, 8,9-dihydro-2-(4-methyl-1-piperazinyl)-6-phenyl-, 5-oxide1,2-dihydro-8-(4-methylpiperazinyl)-4-phenylimidazo(1,2-a)pyrido(3,2-e)pyrazine 5-oxide2-(4-Methylpiperazin-1-yl)-5-oxo-6-phenyl-8,9-dihydro-5lambda~5~-imidazo[1,2-a]pyrido[3,2-e]pyrazine
Database identifiers
- CAS
108307-65-9- PubChem CID
- 150563
- DTXSID
DTXSID40148495
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 620
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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