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

C15H12F4N4O4 — CID 20707597

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

3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 20707597) has the molecular formula C15H12F4N4O4 and a molecular weight of 388.28 g/mol. Its IUPAC name is 3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
• PubChem CID: 20707597
• Molecular Formula: C15H12F4N4O4
• Molecular Weight: 388.28 g/mol
• Exact Mass: 388.08
• IUPAC Name: 3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
• SMILES: CON1C(=O)CNc2cc(F)c(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc21
• InChI: InChI=1S/C15H12F4N4O4/c1-21-11(15(17,18)19)5-12(24)22(14(21)26)9-4-10-8(3-7(9)16)20-6-13(25)23(10)27-2/h3-5,20H,6H2,1-2H3
• InChIKey: KSSCZSPDMMYKBO-UHFFFAOYSA-N
• XLogP: 1.01
• TPSA: 85.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.28
LogP ≤ 5	1.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?

The IUPAC name of 3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 20707597) is 3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

What is the SMILES notation for 3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?

The canonical SMILES for 3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is CON1C(=O)CNc2cc(F)c(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc21.

What is the InChIKey of 3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?

The InChIKey is KSSCZSPDMMYKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N4O4/c1-21-11(15(17,18)19)5-12(24)22(14(21)26)9-4-10-8(3-7(9)16)20-6-13(25)23(10)27-2/h3-5,20H,6H2,1-2H3.

What are the key properties of 3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?

3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 388.28 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 20707597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).