Basic information
- Standard SMILES
O=[N+]([O-])c1cc(Cc2cccnc2)cnc1NCCCC1CCCc2cccnc21- InChIKey
XUAHEMBQXJKECO-UHFFFAOYSA-N- Molecular formula
- C23H25N5O2
- Average molar mass
- 403.5 g/mol
Names & identifiers
- Preferred name
- 3-(5,6,7,8-Tetrahydroquinol-8-yl)propylamino-3-nitro-5-(pyrid-3-ylmethyl)pyridine
- IUPAC
- 3-nitro-5-(pyridin-3-ylmethyl)-N-[3-(5,6,7,8-tetrahydroquinolin-8-yl)propyl]pyridin-2-amine
Names & synonyms
SCHEMBL10365084XUAHEMBQXJKECO-UHFFFAOYSA-N2-[3-(5,6,7,8-Tetrahydroquinol-8-yl)propylamino]-3-nitro-5-(pyrid-3-ylmethyl)pyridine3-(5,6,7,8-tetrahydroquinol-8-yl)propylamino-3-nitro-5-(pyrid-3-ylmethyl)pyridine
Database identifiers
- PubChem CID
- 19851797
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 542
Related reactions
5 records
Compound notes
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