1-N,1-N-diethyl-4-N-[6-methoxy-2-[(E)-2-(4-nitrophenyl)ethenyl]quinolin-4-yl]pentane-1,4-diamine
Basic information
- CAS
7195-14-4- Standard SMILES
CCN(CC)CCCC(C)Nc1cc(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccc(OC)cc12- InChIKey
XWBADQOPXPRKBX-FMIVXFBMSA-N- Molecular formula
- C27H34N4O3
- Average molar mass
- 462.6 g/mol
- Monoisotopic mass
- 462.26309096
Names & identifiers
- Preferred name
- 1-N,1-N-diethyl-4-N-[6-methoxy-2-[(E)-2-(4-nitrophenyl)ethenyl]quinolin-4-yl]pentane-1,4-diamine
- IUPAC
- 1-N,1-N-diethyl-4-N-[6-methoxy-2-[(E)-2-(4-nitrophenyl)ethenyl]quinolin-4-yl]pentane-1,4-diamine
- English name
- trichomonacid
- Molecular formula
- C27H34N4O3
- Molecular weight
- 462.58386
Names & synonyms
(E)-N1,N1-Diethyl-N4-(6-methoxy-2-(4-nitrostyryl)quinolin-4-yl)pentane-1,4-diamine1-N,1-N-diethyl-4-N-[6-methoxy-2-[(E)-2-(4-nitrophenyl)ethenyl]quinolin-4-yl]pentane-1,4-diamineN1,N1-Diethyl-N4-(6-methoxy-2-(4-nitrostyryl)quinolin-4-yl)pentane-1,4-diamine1,4-Pentanediamine, N1,N1-diethyl-N4-(6-methoxy-2-(2-(4-nitrophenyl)ethenyl)-4-quinolinyl)-, phosphate (1:3)47747-16-0N~1~,N~1~-diethyl-N~4~-{6-methoxy-2-[(E)-2-(4-nitrophenyl)ethenyl]quinolin-4-yl}pentane-1,4-diaminetrichomonacideGNF-Pf-182CHEMBL601778UCF501SCHEMBL22509233GLXC-21314
Show more names
trichomonacid
GLXC-23007STK097088AKOS000538589AKOS021983733N1,N1-Diethyl-N4-(6-methoxy-2-(4-nitrostyryl)quinolin-4-yl)pentane-1,4-diamine tris(phosphate)AH-034/339610204-{[4-(diethylamino)-1-methylbutyl]amino}-2-(2-{4-nitrophenyl}vinyl)-6-methoxyquinolineN~1~,N~1~-diethyl-N~4~-{6-methoxy-2-[2-(4-nitrophenyl)vinyl]-4-quinolinyl}-1,4-pentanediamine
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 83.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 628
Chemistry & industry
Applications
DescriptionTrichomonacid is a novel inhibitor of Mycobacterium marinum MelF (Rv1936), exhibiting bacteriostatic/bactericidal activity against M. marinum and M. tuberculosis in vitro.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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