7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one

C11H10BrFN2O — CID 162524420

IUPAC7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one
SMILESCCc1nc2ccc(CBr)c(F)c2[nH]c1=O
InChIInChI=1S/C11H10BrFN2O/c1-2-7-11(16)15-10-8(14-7)4-3-6(5-12)9(10)13/h3-4H,2,5H2,1H3,(H,15,16)
InChIKeyHKZQDCWMKBDCSS-UHFFFAOYSA-N
MW285.12 g/mol
LogP2.52
Rot. Bonds2

About 7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one

7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one (PubChem CID 162524420) has the molecular formula C11H10BrFN2O and a molecular weight of 285.12 g/mol. Its IUPAC name is 7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one
PubChem CID162524420
Molecular FormulaC11H10BrFN2O
Molecular Weight285.12 g/mol
Exact Mass284.00
IUPAC Name7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one
SMILESCCc1nc2ccc(CBr)c(F)c2[nH]c1=O
InChIInChI=1S/C11H10BrFN2O/c1-2-7-11(16)15-10-8(14-7)4-3-6(5-12)9(10)13/h3-4H,2,5H2,1H3,(H,15,16)
InChIKeyHKZQDCWMKBDCSS-UHFFFAOYSA-N
XLogP2.52
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinolin-2-one
CID 168984402
5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 178131889
7-ethenyl-3-ethyl-8-fluoro-1H-pyrido[3,4-b]pyrazin-2-one
CID 171520973
sodium 6-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-5-fluoropyridine-3-carboxylate
CID 178131795
CID 162524598
CID 162524598
5-[2-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N-methylpyrazine-2-carboxamide
CID 177234480
6-(difluoromethyl)-5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 162524515
7-(bromomethyl)-8-fluoro-3-methyl-1H-1,5-naphthyridin-2-one
CID 178132037
4-[2-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,2-dimethylbenzamide
CID 177234403
6-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 178131856
N-cyclopropyl-5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide
CID 169110858
5-[4-[1-(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 169110755

Frequently Asked Questions

What is the IUPAC name of 7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one?
The IUPAC name of 7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one (CID 162524420) is 7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one.
What is the SMILES notation for 7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one?
The canonical SMILES for 7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one is CCc1nc2ccc(CBr)c(F)c2[nH]c1=O.
What is the InChIKey of 7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one?
The InChIKey is HKZQDCWMKBDCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O/c1-2-7-11(16)15-10-8(14-7)4-3-6(5-12)9(10)13/h3-4H,2,5H2,1H3,(H,15,16).
What are the key properties of 7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one?
7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one has a molecular weight of 285.12 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one is sourced from PubChem (CID 162524420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).