ethane;3-ethyl-6-fluoro-7-(hydroxymethyl)-1H-quinoxalin-2-one

C13H17FN2O2 — CID 168995296

IUPACethane;3-ethyl-6-fluoro-7-(hydroxymethyl)-1H-quinoxalin-2-one
SMILESCC.CCc1nc2cc(F)c(CO)cc2[nH]c1=O
InChIInChI=1S/C11H11FN2O2.C2H6/c1-2-8-11(16)14-9-3-6(5-15)7(12)4-10(9)13-8;1-2/h3-4,15H,2,5H2,1H3,(H,14,16);1-2H3
InChIKeyUGWBMBHPGBYMEH-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.14
Rot. Bonds2

About ethane;3-ethyl-6-fluoro-7-(hydroxymethyl)-1H-quinoxalin-2-one

ethane;3-ethyl-6-fluoro-7-(hydroxymethyl)-1H-quinoxalin-2-one (PubChem CID 168995296) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is ethane;3-ethyl-6-fluoro-7-(hydroxymethyl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Nameethane;3-ethyl-6-fluoro-7-(hydroxymethyl)-1H-quinoxalin-2-one
PubChem CID168995296
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Nameethane;3-ethyl-6-fluoro-7-(hydroxymethyl)-1H-quinoxalin-2-one
SMILESCC.CCc1nc2cc(F)c(CO)cc2[nH]c1=O
InChIInChI=1S/C11H11FN2O2.C2H6/c1-2-8-11(16)14-9-3-6(5-15)7(12)4-10(9)13-8;1-2/h3-4,15H,2,5H2,1H3,(H,14,16);1-2H3
InChIKeyUGWBMBHPGBYMEH-UHFFFAOYSA-N
XLogP2.14
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-7-fluoro-6-methoxy-1H-quinoxalin-2-one
CID 90101779
6,7-difluoro-3-propyl-1H-quinoxalin-2-one
CID 10537083
3-ethyl-6-(2-methylpropanoyl)-1H-quinoxalin-2-one
CID 58442705
7-bromo-3-ethyl-5-fluoro-1H-quinoxalin-2-one
CID 168856768
N-(3,3-difluoropyrrolidin-1-yl)-5-[1-[(2-ethyl-7-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperidin-4-yl]-6-fluoropyridine-2-carboxamide
CID 178132010
5-[2-[(2-ethyl-7-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,4-dimethylpyridine-2-carboxamide
CID 177234615
7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one
CID 162524420
3-(hydroxymethyl)-6-(trifluoromethyl)-1H-quinoxalin-2-one
CID 123788014
6-fluoro-3,7-dimethyl-1H-quinoxalin-2-one
CID 59874558
7-bromo-3-ethyl-1H-pyrido[2,3-b]pyrazin-2-one
CID 168984379
(6-fluoro-2-methyl-3H-benzimidazol-5-yl)methanamine
CID 149051203
7-amino-6-(dodecylamino)-3-(hydroxymethyl)-1H-quinoxalin-2-one
CID 11394720

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-6-fluoro-7-(hydroxymethyl)-1H-quinoxalin-2-one?
The IUPAC name of ethane;3-ethyl-6-fluoro-7-(hydroxymethyl)-1H-quinoxalin-2-one (CID 168995296) is ethane;3-ethyl-6-fluoro-7-(hydroxymethyl)-1H-quinoxalin-2-one.
What is the SMILES notation for ethane;3-ethyl-6-fluoro-7-(hydroxymethyl)-1H-quinoxalin-2-one?
The canonical SMILES for ethane;3-ethyl-6-fluoro-7-(hydroxymethyl)-1H-quinoxalin-2-one is CC.CCc1nc2cc(F)c(CO)cc2[nH]c1=O.
What is the InChIKey of ethane;3-ethyl-6-fluoro-7-(hydroxymethyl)-1H-quinoxalin-2-one?
The InChIKey is UGWBMBHPGBYMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2.C2H6/c1-2-8-11(16)14-9-3-6(5-15)7(12)4-10(9)13-8;1-2/h3-4,15H,2,5H2,1H3,(H,14,16);1-2H3.
What are the key properties of ethane;3-ethyl-6-fluoro-7-(hydroxymethyl)-1H-quinoxalin-2-one?
ethane;3-ethyl-6-fluoro-7-(hydroxymethyl)-1H-quinoxalin-2-one has a molecular weight of 252.29 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-6-fluoro-7-(hydroxymethyl)-1H-quinoxalin-2-one is sourced from PubChem (CID 168995296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).