6-fluoro-7-iodo-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one

C11H12FIN2O2 — CID 79296230

IUPAC6-fluoro-7-iodo-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one
SMILESCOCCN1CC(=O)Nc2cc(I)c(F)cc21
InChIInChI=1S/C11H12FIN2O2/c1-17-3-2-15-6-11(16)14-9-5-8(13)7(12)4-10(9)15/h4-5H,2-3,6H2,1H3,(H,14,16)
InChIKeyIIWVFWHJJAFCKX-UHFFFAOYSA-N
MW350.13 g/mol
LogP1.84
Rot. Bonds3

About 6-fluoro-7-iodo-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one

6-fluoro-7-iodo-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 79296230) has the molecular formula C11H12FIN2O2 and a molecular weight of 350.13 g/mol. Its IUPAC name is 6-fluoro-7-iodo-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name6-fluoro-7-iodo-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one
PubChem CID79296230
Molecular FormulaC11H12FIN2O2
Molecular Weight350.13 g/mol
Exact Mass349.99
IUPAC Name6-fluoro-7-iodo-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one
SMILESCOCCN1CC(=O)Nc2cc(I)c(F)cc21
InChIInChI=1S/C11H12FIN2O2/c1-17-3-2-15-6-11(16)14-9-5-8(13)7(12)4-10(9)15/h4-5H,2-3,6H2,1H3,(H,14,16)
InChIKeyIIWVFWHJJAFCKX-UHFFFAOYSA-N
XLogP1.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.13
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-iodo-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 6-fluoro-7-iodo-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one (CID 79296230) is 6-fluoro-7-iodo-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 6-fluoro-7-iodo-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 6-fluoro-7-iodo-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one is COCCN1CC(=O)Nc2cc(I)c(F)cc21.
What is the InChIKey of 6-fluoro-7-iodo-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is IIWVFWHJJAFCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FIN2O2/c1-17-3-2-15-6-11(16)14-9-5-8(13)7(12)4-10(9)15/h4-5H,2-3,6H2,1H3,(H,14,16).
What are the key properties of 6-fluoro-7-iodo-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one?
6-fluoro-7-iodo-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 350.13 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-iodo-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 79296230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).