3-(7-fluoro-3-oxo-2,4-dihydro-1H-quinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

C14H10F4N4O3 — CID 67753613

IUPAC3-(7-fluoro-3-oxo-2,4-dihydro-1H-quinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(-c2cc3c(cc2F)NCC(=O)N3)c1=O
InChIInChI=1S/C14H10F4N4O3/c1-21-10(14(16,17)18)4-12(24)22(13(21)25)9-3-8-7(2-6(9)15)19-5-11(23)20-8/h2-4,19H,5H2,1H3,(H,20,23)
InChIKeyTVDLSZIVSIGXAN-UHFFFAOYSA-N
MW358.25 g/mol
LogP1.06
Rot. Bonds1

About 3-(7-fluoro-3-oxo-2,4-dihydro-1H-quinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

3-(7-fluoro-3-oxo-2,4-dihydro-1H-quinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 67753613) has the molecular formula C14H10F4N4O3 and a molecular weight of 358.25 g/mol. Its IUPAC name is 3-(7-fluoro-3-oxo-2,4-dihydro-1H-quinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(7-fluoro-3-oxo-2,4-dihydro-1H-quinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID67753613
Molecular FormulaC14H10F4N4O3
Molecular Weight358.25 g/mol
Exact Mass358.07
IUPAC Name3-(7-fluoro-3-oxo-2,4-dihydro-1H-quinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(-c2cc3c(cc2F)NCC(=O)N3)c1=O
InChIInChI=1S/C14H10F4N4O3/c1-21-10(14(16,17)18)4-12(24)22(13(21)25)9-3-8-7(2-6(9)15)19-5-11(23)20-8/h2-4,19H,5H2,1H3,(H,20,23)
InChIKeyTVDLSZIVSIGXAN-UHFFFAOYSA-N
XLogP1.06
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-3-oxo-2,4-dihydro-1H-quinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-(7-fluoro-3-oxo-2,4-dihydro-1H-quinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 67753613) is 3-(7-fluoro-3-oxo-2,4-dihydro-1H-quinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-(7-fluoro-3-oxo-2,4-dihydro-1H-quinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-(7-fluoro-3-oxo-2,4-dihydro-1H-quinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is Cn1c(C(F)(F)F)cc(=O)n(-c2cc3c(cc2F)NCC(=O)N3)c1=O.
What is the InChIKey of 3-(7-fluoro-3-oxo-2,4-dihydro-1H-quinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is TVDLSZIVSIGXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N4O3/c1-21-10(14(16,17)18)4-12(24)22(13(21)25)9-3-8-7(2-6(9)15)19-5-11(23)20-8/h2-4,19H,5H2,1H3,(H,20,23).
What are the key properties of 3-(7-fluoro-3-oxo-2,4-dihydro-1H-quinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
3-(7-fluoro-3-oxo-2,4-dihydro-1H-quinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 358.25 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-3-oxo-2,4-dihydro-1H-quinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 67753613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).