3-(5,6,7,8-Tetrahydroquinol-8-yl)propylamino-3-nitro-5-(pyrid-3-ylmethyl)pyridine

HCID 19851797

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

Related reactions

5 records

Compound notes

Loading…