1-N-Methylpiperazine-2-chloro-4-nitroisoquinoline
Basic information
- CAS
19559-37-6- Standard SMILES
CN1CCN(c2nc(Cl)cc3cc([N+](=O)[O-])ccc23)CC1- InChIKey
VGOIARRTASHGDM-UHFFFAOYSA-N- Molecular formula
- C14H15ClN4O2
- Average molar mass
- 306.75 g/mol
- Monoisotopic mass
- 306.0883534
Names & identifiers
- Preferred name
- 1-N-Methylpiperazine-2-chloro-4-nitroisoquinoline
- IUPAC
- 3-chloro-1-(4-methylpiperazin-1-yl)-6-nitroisoquinoline
Names & synonyms
19559-37-6GO-2303-chloro-1-(4-methylpiperazin-1-yl)-6-nitroisoquinoline1-N-Methylpiperazine-2-chloro-4-nitroisoquinoline3-Chloro-1-(4-methyl-1-piperazinyl)-5-nitroisoquinolineDTXSID50941338ISOQUINOLINE, 3-CHLORO-1-(4-METHYL-1-PIPERAZINYL)-5-NITRO-
Database identifiers
- CAS
19559-37-6- PubChem CID
- 29659
- DTXSID
DTXSID50941338
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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