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

C15H13F3N4O4 — CID 20707593

IUPAC3-(4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCON1C(=O)CNc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc21
InChIInChI=1S/C15H13F3N4O4/c1-20-11(15(16,17)18)6-12(23)21(14(20)25)8-3-4-9-10(5-8)22(26-2)13(24)7-19-9/h3-6,19H,7H2,1-2H3
InChIKeyCWTXYDMGZGTGSD-UHFFFAOYSA-N
MW370.29 g/mol
LogP0.87
Rot. Bonds2

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

3-(4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 20707593) has the molecular formula C15H13F3N4O4 and a molecular weight of 370.29 g/mol. Its IUPAC name is 3-(4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID20707593
Molecular FormulaC15H13F3N4O4
Molecular Weight370.29 g/mol
Exact Mass370.09
IUPAC Name3-(4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCON1C(=O)CNc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc21
InChIInChI=1S/C15H13F3N4O4/c1-20-11(15(16,17)18)6-12(23)21(14(20)25)8-3-4-9-10(5-8)22(26-2)13(24)7-19-9/h3-6,19H,7H2,1-2H3
InChIKeyCWTXYDMGZGTGSD-UHFFFAOYSA-N
XLogP0.87
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-(4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 20707593) is 3-(4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-(4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-(4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is CON1C(=O)CNc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc21.
What is the InChIKey of 3-(4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is CWTXYDMGZGTGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O4/c1-20-11(15(16,17)18)6-12(23)21(14(20)25)8-3-4-9-10(5-8)22(26-2)13(24)7-19-9/h3-6,19H,7H2,1-2H3.
What are the key properties of 3-(4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
3-(4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 370.29 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 20707593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).