methyl 7-fluoro-3-oxo-2,4-dihydroquinoxaline-1-carboxylate

C10H9FN2O3 — CID 67835443

IUPACmethyl 7-fluoro-3-oxo-2,4-dihydroquinoxaline-1-carboxylate
SMILESCOC(=O)N1CC(=O)Nc2ccc(F)cc21
InChIInChI=1S/C10H9FN2O3/c1-16-10(15)13-5-9(14)12-7-3-2-6(11)4-8(7)13/h2-4H,5H2,1H3,(H,12,14)
InChIKeyVLOZEBYNQPJKKL-UHFFFAOYSA-N
MW224.19 g/mol
LogP1.35
Rot. Bonds

About methyl 7-fluoro-3-oxo-2,4-dihydroquinoxaline-1-carboxylate

methyl 7-fluoro-3-oxo-2,4-dihydroquinoxaline-1-carboxylate (PubChem CID 67835443) 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-dihydroquinoxaline-1-carboxylate.

Molecular Properties

Compound Namemethyl 7-fluoro-3-oxo-2,4-dihydroquinoxaline-1-carboxylate
PubChem CID67835443
Molecular FormulaC10H9FN2O3
Molecular Weight224.19 g/mol
Exact Mass224.06
IUPAC Namemethyl 7-fluoro-3-oxo-2,4-dihydroquinoxaline-1-carboxylate
SMILESCOC(=O)N1CC(=O)Nc2ccc(F)cc21
InChIInChI=1S/C10H9FN2O3/c1-16-10(15)13-5-9(14)12-7-3-2-6(11)4-8(7)13/h2-4H,5H2,1H3,(H,12,14)
InChIKeyVLOZEBYNQPJKKL-UHFFFAOYSA-N
XLogP1.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 7-fluoro-3-oxo-2,4-dihydroquinoxaline-1-carboxylate?
The IUPAC name of methyl 7-fluoro-3-oxo-2,4-dihydroquinoxaline-1-carboxylate (CID 67835443) is methyl 7-fluoro-3-oxo-2,4-dihydroquinoxaline-1-carboxylate.
What is the SMILES notation for methyl 7-fluoro-3-oxo-2,4-dihydroquinoxaline-1-carboxylate?
The canonical SMILES for methyl 7-fluoro-3-oxo-2,4-dihydroquinoxaline-1-carboxylate is COC(=O)N1CC(=O)Nc2ccc(F)cc21.
What is the InChIKey of methyl 7-fluoro-3-oxo-2,4-dihydroquinoxaline-1-carboxylate?
The InChIKey is VLOZEBYNQPJKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O3/c1-16-10(15)13-5-9(14)12-7-3-2-6(11)4-8(7)13/h2-4H,5H2,1H3,(H,12,14).
What are the key properties of methyl 7-fluoro-3-oxo-2,4-dihydroquinoxaline-1-carboxylate?
methyl 7-fluoro-3-oxo-2,4-dihydroquinoxaline-1-carboxylate has a molecular weight of 224.19 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-fluoro-3-oxo-2,4-dihydroquinoxaline-1-carboxylate is sourced from PubChem (CID 67835443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).