2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(4-fluorophenyl)-N-methylacetamide

C20H17F4N3O2 — CID 50760712

IUPAC2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(4-fluorophenyl)-N-methylacetamide
SMILESCc1cc2nc(C(F)(F)F)c(=O)n(CC(=O)N(C)c3ccc(F)cc3)c2cc1C
InChIInChI=1S/C20H17F4N3O2/c1-11-8-15-16(9-12(11)2)27(19(29)18(25-15)20(22,23)24)10-17(28)26(3)14-6-4-13(21)5-7-14/h4-9H,10H2,1-3H3
InChIKeyJNEVJYKNKVNQJB-UHFFFAOYSA-N
MW407.37 g/mol
LogP3.83
Rot. Bonds3

About 2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(4-fluorophenyl)-N-methylacetamide

2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(4-fluorophenyl)-N-methylacetamide (PubChem CID 50760712) has the molecular formula C20H17F4N3O2 and a molecular weight of 407.37 g/mol. Its IUPAC name is 2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(4-fluorophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(4-fluorophenyl)-N-methylacetamide
PubChem CID50760712
Molecular FormulaC20H17F4N3O2
Molecular Weight407.37 g/mol
Exact Mass407.13
IUPAC Name2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(4-fluorophenyl)-N-methylacetamide
SMILESCc1cc2nc(C(F)(F)F)c(=O)n(CC(=O)N(C)c3ccc(F)cc3)c2cc1C
InChIInChI=1S/C20H17F4N3O2/c1-11-8-15-16(9-12(11)2)27(19(29)18(25-15)20(22,23)24)10-17(28)26(3)14-6-4-13(21)5-7-14/h4-9H,10H2,1-3H3
InChIKeyJNEVJYKNKVNQJB-UHFFFAOYSA-N
XLogP3.83
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.37
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(4-fluorophenyl)-N-methylacetamide?
The IUPAC name of 2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(4-fluorophenyl)-N-methylacetamide (CID 50760712) is 2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(4-fluorophenyl)-N-methylacetamide.
What is the SMILES notation for 2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(4-fluorophenyl)-N-methylacetamide?
The canonical SMILES for 2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(4-fluorophenyl)-N-methylacetamide is Cc1cc2nc(C(F)(F)F)c(=O)n(CC(=O)N(C)c3ccc(F)cc3)c2cc1C.
What is the InChIKey of 2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(4-fluorophenyl)-N-methylacetamide?
The InChIKey is JNEVJYKNKVNQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4N3O2/c1-11-8-15-16(9-12(11)2)27(19(29)18(25-15)20(22,23)24)10-17(28)26(3)14-6-4-13(21)5-7-14/h4-9H,10H2,1-3H3.
What are the key properties of 2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(4-fluorophenyl)-N-methylacetamide?
2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(4-fluorophenyl)-N-methylacetamide has a molecular weight of 407.37 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(4-fluorophenyl)-N-methylacetamide is sourced from PubChem (CID 50760712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).