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

C14H11F4N5O4 — CID 20707582

IUPAC1-amino-3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCON1C(=O)CNc2cc(F)c(-n3c(=O)cc(C(F)(F)F)n(N)c3=O)cc21
InChIInChI=1S/C14H11F4N5O4/c1-27-23-9-3-8(6(15)2-7(9)20-5-12(23)25)21-11(24)4-10(14(16,17)18)22(19)13(21)26/h2-4,20H,5,19H2,1H3
InChIKeyLKKQWNHJTMENLI-UHFFFAOYSA-N
MW389.27 g/mol
LogP0.19
Rot. Bonds2

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

1-amino-3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 20707582) has the molecular formula C14H11F4N5O4 and a molecular weight of 389.27 g/mol. Its IUPAC name is 1-amino-3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-amino-3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID20707582
Molecular FormulaC14H11F4N5O4
Molecular Weight389.27 g/mol
Exact Mass389.07
IUPAC Name1-amino-3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCON1C(=O)CNc2cc(F)c(-n3c(=O)cc(C(F)(F)F)n(N)c3=O)cc21
InChIInChI=1S/C14H11F4N5O4/c1-27-23-9-3-8(6(15)2-7(9)20-5-12(23)25)21-11(24)4-10(14(16,17)18)22(19)13(21)26/h2-4,20H,5,19H2,1H3
InChIKeyLKKQWNHJTMENLI-UHFFFAOYSA-N
XLogP0.19
TPSA111.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.27
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-Amino-3-(7-chloro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 20707580
1-Amino-3-[7-fluoro-4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 20707583
1-Methyl-3-[4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 20707586
3-(4-Methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 20707593
3-(7-Fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 20707597
3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 20707598
3-[7-Fluoro-4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 20707599
3-[7-fluoro-4-(methylamino)-3-oxo-1,2-dihydroquinoxalin-6-yl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 20707600
3-(7-fluoro-3-oxo-2,4-dihydro-1H-quinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 67753613
3-(7-Fluoro-3-oxo-4-prop-2-ynyl-1,2-dihydroquinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 88402708
3-(4-amino-7-fluoro-3-oxo-1,2-dihydroquinoxalin-6-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 141850122
3-(7-Fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione;iridium
CID 157165766

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-amino-3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 20707582) is 1-amino-3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-amino-3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-amino-3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione is CON1C(=O)CNc2cc(F)c(-n3c(=O)cc(C(F)(F)F)n(N)c3=O)cc21.
What is the InChIKey of 1-amino-3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is LKKQWNHJTMENLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4N5O4/c1-27-23-9-3-8(6(15)2-7(9)20-5-12(23)25)21-11(24)4-10(14(16,17)18)22(19)13(21)26/h2-4,20H,5,19H2,1H3.
What are the key properties of 1-amino-3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione?
1-amino-3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 389.27 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(7-fluoro-4-methoxy-3-oxo-1,2-dihydroquinoxalin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 20707582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).