7-fluoro-4-propyl-1H-quinoxaline-2,3-dione

C11H11FN2O2 — CID 10680528

IUPAC7-fluoro-4-propyl-1H-quinoxaline-2,3-dione
SMILESCCCn1c(=O)c(=O)[nH]c2cc(F)ccc21
InChIInChI=1S/C11H11FN2O2/c1-2-5-14-9-4-3-7(12)6-8(9)13-10(15)11(14)16/h3-4,6H,2,5H2,1H3,(H,13,15)
InChIKeyCILGIUQHKBBOFI-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.24
Rot. Bonds2

About 7-fluoro-4-propyl-1H-quinoxaline-2,3-dione

7-fluoro-4-propyl-1H-quinoxaline-2,3-dione (PubChem CID 10680528) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 7-fluoro-4-propyl-1H-quinoxaline-2,3-dione.

Molecular Properties

Compound Name7-fluoro-4-propyl-1H-quinoxaline-2,3-dione
PubChem CID10680528
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name7-fluoro-4-propyl-1H-quinoxaline-2,3-dione
SMILESCCCn1c(=O)c(=O)[nH]c2cc(F)ccc21
InChIInChI=1S/C11H11FN2O2/c1-2-5-14-9-4-3-7(12)6-8(9)13-10(15)11(14)16/h3-4,6H,2,5H2,1H3,(H,13,15)
InChIKeyCILGIUQHKBBOFI-UHFFFAOYSA-N
XLogP1.24
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-propyl-1H-quinoxaline-2,3-dione?
The IUPAC name of 7-fluoro-4-propyl-1H-quinoxaline-2,3-dione (CID 10680528) is 7-fluoro-4-propyl-1H-quinoxaline-2,3-dione.
What is the SMILES notation for 7-fluoro-4-propyl-1H-quinoxaline-2,3-dione?
The canonical SMILES for 7-fluoro-4-propyl-1H-quinoxaline-2,3-dione is CCCn1c(=O)c(=O)[nH]c2cc(F)ccc21.
What is the InChIKey of 7-fluoro-4-propyl-1H-quinoxaline-2,3-dione?
The InChIKey is CILGIUQHKBBOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-2-5-14-9-4-3-7(12)6-8(9)13-10(15)11(14)16/h3-4,6H,2,5H2,1H3,(H,13,15).
What are the key properties of 7-fluoro-4-propyl-1H-quinoxaline-2,3-dione?
7-fluoro-4-propyl-1H-quinoxaline-2,3-dione has a molecular weight of 222.22 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-propyl-1H-quinoxaline-2,3-dione is sourced from PubChem (CID 10680528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).