M3F

1-methyl-3-(trifluoromethyl)benzo[c][1,8]naphthyridin-6(5H)-one

Created:	2010-04-14
Last modified:	2011-06-04

Find Related PDB Entry
1 entries where M3F is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	13

2D diagram of M3F

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	1-methyl-3-(trifluoromethyl)benzo[c][1,8]naphthyridin-6(5H)-one
Systematic Name (OpenEye OEToolkits)	1-methyl-3-(trifluoromethyl)-5H-benzo[c][1,8]naphthyridin-6-one
Formula	C₁₄ H₉ F₃ N₂ O
Molecular Weight	278.229
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC(F)(F)c3nc1c(c2c(C(=O)N1)cccc2)c(c3)C
SMILES	CACTVS	3.370	Cc1cc(nc2NC(=O)c3ccccc3c12)C(F)(F)F
SMILES	OpenEye OEToolkits	1.7.0	Cc1cc(nc2c1-c3ccccc3C(=O)N2)C(F)(F)F
Canonical SMILES	CACTVS	3.370	Cc1cc(nc2NC(=O)c3ccccc3c12)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	1.7.0	Cc1cc(nc2c1-c3ccccc3C(=O)N2)C(F)(F)F
InChI	InChI	1.03	InChI=1S/C14H9F3N2O/c1-7-6-10(14(15,16)17)18-12-11(7)8-4-2-3-5-9(8)13(20)19-12/h2-6H,1H3,(H,18,19,20)
InChIKey	InChI	1.03	DRKNNRNHSWAINH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	17535401

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.