9-methoxy-1,8-dioxo-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid;methoxyethane

C15H19F3N2O6 — CID 145112117

IUPAC9-methoxy-1,8-dioxo-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid;methoxyethane
SMILESCCOC.COc1c2n(cc(C(=O)O)c1=O)CCN(CC(F)(F)F)C2=O
InChIInChI=1S/C12H11F3N2O5.C3H8O/c1-22-9-7-10(19)17(5-12(13,14)15)3-2-16(7)4-6(8(9)18)11(20)21;1-3-4-2/h4H,2-3,5H2,1H3,(H,20,21);3H2,1-2H3
InChIKeyAKQBNEFNHMMUAC-UHFFFAOYSA-N
MW380.32 g/mol
LogP1.23
Rot. Bonds4

About 9-methoxy-1,8-dioxo-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid;methoxyethane

9-methoxy-1,8-dioxo-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid;methoxyethane (PubChem CID 145112117) has the molecular formula C15H19F3N2O6 and a molecular weight of 380.32 g/mol. Its IUPAC name is 9-methoxy-1,8-dioxo-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid;methoxyethane.

Molecular Properties

Compound Name9-methoxy-1,8-dioxo-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid;methoxyethane
PubChem CID145112117
Molecular FormulaC15H19F3N2O6
Molecular Weight380.32 g/mol
Exact Mass380.12
IUPAC Name9-methoxy-1,8-dioxo-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid;methoxyethane
SMILESCCOC.COc1c2n(cc(C(=O)O)c1=O)CCN(CC(F)(F)F)C2=O
InChIInChI=1S/C12H11F3N2O5.C3H8O/c1-22-9-7-10(19)17(5-12(13,14)15)3-2-16(7)4-6(8(9)18)11(20)21;1-3-4-2/h4H,2-3,5H2,1H3,(H,20,21);3H2,1-2H3
InChIKeyAKQBNEFNHMMUAC-UHFFFAOYSA-N
XLogP1.23
TPSA98.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-1,8-dioxo-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid;methoxyethane?
The IUPAC name of 9-methoxy-1,8-dioxo-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid;methoxyethane (CID 145112117) is 9-methoxy-1,8-dioxo-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid;methoxyethane.
What is the SMILES notation for 9-methoxy-1,8-dioxo-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid;methoxyethane?
The canonical SMILES for 9-methoxy-1,8-dioxo-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid;methoxyethane is CCOC.COc1c2n(cc(C(=O)O)c1=O)CCN(CC(F)(F)F)C2=O.
What is the InChIKey of 9-methoxy-1,8-dioxo-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid;methoxyethane?
The InChIKey is AKQBNEFNHMMUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O5.C3H8O/c1-22-9-7-10(19)17(5-12(13,14)15)3-2-16(7)4-6(8(9)18)11(20)21;1-3-4-2/h4H,2-3,5H2,1H3,(H,20,21);3H2,1-2H3.
What are the key properties of 9-methoxy-1,8-dioxo-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid;methoxyethane?
9-methoxy-1,8-dioxo-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid;methoxyethane has a molecular weight of 380.32 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-1,8-dioxo-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid;methoxyethane is sourced from PubChem (CID 145112117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).