methyl 7-fluoro-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylate

C10H9FN2O3 — CID 130131955

IUPACmethyl 7-fluoro-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylate
SMILESCOC(=O)c1cc2c(cc1F)NCC(=O)N2
InChIInChI=1S/C10H9FN2O3/c1-16-10(15)5-2-8-7(3-6(5)11)12-4-9(14)13-8/h2-3,12H,4H2,1H3,(H,13,14)
InChIKeyZDLGTVQUKGBTNN-UHFFFAOYSA-N
MW224.19 g/mol
LogP0.98
Rot. Bonds1

About methyl 7-fluoro-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylate

methyl 7-fluoro-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylate (PubChem CID 130131955) has the molecular formula C10H9FN2O3 and a molecular weight of 224.19 g/mol. Its IUPAC name is methyl 7-fluoro-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-fluoro-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylate
PubChem CID130131955
Molecular FormulaC10H9FN2O3
Molecular Weight224.19 g/mol
Exact Mass224.06
IUPAC Namemethyl 7-fluoro-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylate
SMILESCOC(=O)c1cc2c(cc1F)NCC(=O)N2
InChIInChI=1S/C10H9FN2O3/c1-16-10(15)5-2-8-7(3-6(5)11)12-4-9(14)13-8/h2-3,12H,4H2,1H3,(H,13,14)
InChIKeyZDLGTVQUKGBTNN-UHFFFAOYSA-N
XLogP0.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 7-fluoro-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylate?
The IUPAC name of methyl 7-fluoro-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylate (CID 130131955) is methyl 7-fluoro-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylate.
What is the SMILES notation for methyl 7-fluoro-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylate?
The canonical SMILES for methyl 7-fluoro-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylate is COC(=O)c1cc2c(cc1F)NCC(=O)N2.
What is the InChIKey of methyl 7-fluoro-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylate?
The InChIKey is ZDLGTVQUKGBTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O3/c1-16-10(15)5-2-8-7(3-6(5)11)12-4-9(14)13-8/h2-3,12H,4H2,1H3,(H,13,14).
What are the key properties of methyl 7-fluoro-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylate?
methyl 7-fluoro-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylate has a molecular weight of 224.19 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-fluoro-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylate is sourced from PubChem (CID 130131955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).