3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

C14H10F4N4O4 — CID 20707598

IUPAC3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESCON1C(=O)CNc2cc(F)c(-n3c(=O)cc(C(F)(F)F)[nH]c3=O)cc21
InChIInChI=1S/C14H10F4N4O4/c1-26-22-9-3-8(6(15)2-7(9)19-5-12(22)24)21-11(23)4-10(14(16,17)18)20-13(21)25/h2-4,19H,5H2,1H3,(H,20,25)
InChIKeyUUUMJWUIOMVTAJ-UHFFFAOYSA-N
MW374.25 g/mol
LogP1.00
Rot. Bonds2

About 3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (PubChem CID 20707598) has the molecular formula C14H10F4N4O4 and a molecular weight of 374.25 g/mol. Its IUPAC name is 3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
PubChem CID20707598
Molecular FormulaC14H10F4N4O4
Molecular Weight374.25 g/mol
Exact Mass374.06
IUPAC Name3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESCON1C(=O)CNc2cc(F)c(-n3c(=O)cc(C(F)(F)F)[nH]c3=O)cc21
InChIInChI=1S/C14H10F4N4O4/c1-26-22-9-3-8(6(15)2-7(9)19-5-12(22)24)21-11(23)4-10(14(16,17)18)20-13(21)25/h2-4,19H,5H2,1H3,(H,20,25)
InChIKeyUUUMJWUIOMVTAJ-UHFFFAOYSA-N
XLogP1.00
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (CID 20707598) is 3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is CON1C(=O)CNc2cc(F)c(-n3c(=O)cc(C(F)(F)F)[nH]c3=O)cc21.
What is the InChIKey of 3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is UUUMJWUIOMVTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N4O4/c1-26-22-9-3-8(6(15)2-7(9)19-5-12(22)24)21-11(23)4-10(14(16,17)18)20-13(21)25/h2-4,19H,5H2,1H3,(H,20,25).
What are the key properties of 3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 374.25 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 20707598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).