ethyl 2-(6-fluoro-9-methyl-2,3-dioxo-1,4-dihydroindeno[2,3-b]pyrazin-9-yl)acetate

C16H15FN2O4 — CID 10781790

IUPACethyl 2-(6-fluoro-9-methyl-2,3-dioxo-1,4-dihydroindeno[2,3-b]pyrazin-9-yl)acetate
SMILESCCOC(=O)CC1(C)c2ccc(F)cc2-c2[nH]c(=O)c(=O)[nH]c21
InChIInChI=1S/C16H15FN2O4/c1-3-23-11(20)7-16(2)10-5-4-8(17)6-9(10)12-13(16)19-15(22)14(21)18-12/h4-6H,3,7H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyGOSZHUFLYFIAFS-UHFFFAOYSA-N
MW318.30 g/mol
LogP1.44
Rot. Bonds3

About ethyl 2-(6-fluoro-9-methyl-2,3-dioxo-1,4-dihydroindeno[2,3-b]pyrazin-9-yl)acetate

ethyl 2-(6-fluoro-9-methyl-2,3-dioxo-1,4-dihydroindeno[2,3-b]pyrazin-9-yl)acetate (PubChem CID 10781790) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is ethyl 2-(6-fluoro-9-methyl-2,3-dioxo-1,4-dihydroindeno[2,3-b]pyrazin-9-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-fluoro-9-methyl-2,3-dioxo-1,4-dihydroindeno[2,3-b]pyrazin-9-yl)acetate
PubChem CID10781790
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Nameethyl 2-(6-fluoro-9-methyl-2,3-dioxo-1,4-dihydroindeno[2,3-b]pyrazin-9-yl)acetate
SMILESCCOC(=O)CC1(C)c2ccc(F)cc2-c2[nH]c(=O)c(=O)[nH]c21
InChIInChI=1S/C16H15FN2O4/c1-3-23-11(20)7-16(2)10-5-4-8(17)6-9(10)12-13(16)19-15(22)14(21)18-12/h4-6H,3,7H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyGOSZHUFLYFIAFS-UHFFFAOYSA-N
XLogP1.44
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze ethyl 2-(6-fluoro-9-methyl-2,3-dioxo-1,4-dihydroindeno[2,3-b]pyrazin-9-yl)acetate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-fluoro-9-methyl-2,3-dioxo-1,4-dihydroindeno[2,3-b]pyrazin-9-yl)acetate?
The IUPAC name of ethyl 2-(6-fluoro-9-methyl-2,3-dioxo-1,4-dihydroindeno[2,3-b]pyrazin-9-yl)acetate (CID 10781790) is ethyl 2-(6-fluoro-9-methyl-2,3-dioxo-1,4-dihydroindeno[2,3-b]pyrazin-9-yl)acetate.
What is the SMILES notation for ethyl 2-(6-fluoro-9-methyl-2,3-dioxo-1,4-dihydroindeno[2,3-b]pyrazin-9-yl)acetate?
The canonical SMILES for ethyl 2-(6-fluoro-9-methyl-2,3-dioxo-1,4-dihydroindeno[2,3-b]pyrazin-9-yl)acetate is CCOC(=O)CC1(C)c2ccc(F)cc2-c2[nH]c(=O)c(=O)[nH]c21.
What is the InChIKey of ethyl 2-(6-fluoro-9-methyl-2,3-dioxo-1,4-dihydroindeno[2,3-b]pyrazin-9-yl)acetate?
The InChIKey is GOSZHUFLYFIAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c1-3-23-11(20)7-16(2)10-5-4-8(17)6-9(10)12-13(16)19-15(22)14(21)18-12/h4-6H,3,7H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of ethyl 2-(6-fluoro-9-methyl-2,3-dioxo-1,4-dihydroindeno[2,3-b]pyrazin-9-yl)acetate?
ethyl 2-(6-fluoro-9-methyl-2,3-dioxo-1,4-dihydroindeno[2,3-b]pyrazin-9-yl)acetate has a molecular weight of 318.30 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-fluoro-9-methyl-2,3-dioxo-1,4-dihydroindeno[2,3-b]pyrazin-9-yl)acetate is sourced from PubChem (CID 10781790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).