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

C12H14FIN2O — CID 79296397

IUPAC6-fluoro-7-iodo-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one
SMILESCC(C)CN1CC(=O)Nc2cc(I)c(F)cc21
InChIInChI=1S/C12H14FIN2O/c1-7(2)5-16-6-12(17)15-10-4-9(14)8(13)3-11(10)16/h3-4,7H,5-6H2,1-2H3,(H,15,17)
InChIKeyYAZYAJASEXSRSN-UHFFFAOYSA-N
MW348.16 g/mol
LogP2.84
Rot. Bonds2

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

6-fluoro-7-iodo-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 79296397) has the molecular formula C12H14FIN2O and a molecular weight of 348.16 g/mol. Its IUPAC name is 6-fluoro-7-iodo-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name6-fluoro-7-iodo-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one
PubChem CID79296397
Molecular FormulaC12H14FIN2O
Molecular Weight348.16 g/mol
Exact Mass348.01
IUPAC Name6-fluoro-7-iodo-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one
SMILESCC(C)CN1CC(=O)Nc2cc(I)c(F)cc21
InChIInChI=1S/C12H14FIN2O/c1-7(2)5-16-6-12(17)15-10-4-9(14)8(13)3-11(10)16/h3-4,7H,5-6H2,1-2H3,(H,15,17)
InChIKeyYAZYAJASEXSRSN-UHFFFAOYSA-N
XLogP2.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.16
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methylpropyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 6-fluoro-7-iodo-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one (CID 79296397) is 6-fluoro-7-iodo-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 6-fluoro-7-iodo-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 6-fluoro-7-iodo-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one is CC(C)CN1CC(=O)Nc2cc(I)c(F)cc21.
What is the InChIKey of 6-fluoro-7-iodo-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is YAZYAJASEXSRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FIN2O/c1-7(2)5-16-6-12(17)15-10-4-9(14)8(13)3-11(10)16/h3-4,7H,5-6H2,1-2H3,(H,15,17).
What are the key properties of 6-fluoro-7-iodo-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one?
6-fluoro-7-iodo-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 348.16 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-iodo-4-(2-methylpropyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 79296397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).