1-ethyl-8-fluoro-3-methyl-3,4-dihydroquinoxalin-2-one

C11H13FN2O — CID 115095003

IUPAC1-ethyl-8-fluoro-3-methyl-3,4-dihydroquinoxalin-2-one
SMILESCCN1C(=O)C(C)Nc2cccc(F)c21
InChIInChI=1S/C11H13FN2O/c1-3-14-10-8(12)5-4-6-9(10)13-7(2)11(14)15/h4-7,13H,3H2,1-2H3
InChIKeyHOCXATZVWBXVLZ-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.99
Rot. Bonds1

About 1-ethyl-8-fluoro-3-methyl-3,4-dihydroquinoxalin-2-one

1-ethyl-8-fluoro-3-methyl-3,4-dihydroquinoxalin-2-one (PubChem CID 115095003) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 1-ethyl-8-fluoro-3-methyl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name1-ethyl-8-fluoro-3-methyl-3,4-dihydroquinoxalin-2-one
PubChem CID115095003
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name1-ethyl-8-fluoro-3-methyl-3,4-dihydroquinoxalin-2-one
SMILESCCN1C(=O)C(C)Nc2cccc(F)c21
InChIInChI=1S/C11H13FN2O/c1-3-14-10-8(12)5-4-6-9(10)13-7(2)11(14)15/h4-7,13H,3H2,1-2H3
InChIKeyHOCXATZVWBXVLZ-UHFFFAOYSA-N
XLogP1.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-8-fluoro-3-methyl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 1-ethyl-8-fluoro-3-methyl-3,4-dihydroquinoxalin-2-one (CID 115095003) is 1-ethyl-8-fluoro-3-methyl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 1-ethyl-8-fluoro-3-methyl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 1-ethyl-8-fluoro-3-methyl-3,4-dihydroquinoxalin-2-one is CCN1C(=O)C(C)Nc2cccc(F)c21.
What is the InChIKey of 1-ethyl-8-fluoro-3-methyl-3,4-dihydroquinoxalin-2-one?
The InChIKey is HOCXATZVWBXVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-3-14-10-8(12)5-4-6-9(10)13-7(2)11(14)15/h4-7,13H,3H2,1-2H3.
What are the key properties of 1-ethyl-8-fluoro-3-methyl-3,4-dihydroquinoxalin-2-one?
1-ethyl-8-fluoro-3-methyl-3,4-dihydroquinoxalin-2-one has a molecular weight of 208.24 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-8-fluoro-3-methyl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 115095003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).