6-chloro-4-cyclopropyl-7-fluoro-1H-quinoxaline-2,3-dione

C11H8ClFN2O2 — CID 67321255

IUPAC6-chloro-4-cyclopropyl-7-fluoro-1H-quinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(F)c(Cl)cc2n(C2CC2)c1=O
InChIInChI=1S/C11H8ClFN2O2/c12-6-3-9-8(4-7(6)13)14-10(16)11(17)15(9)5-1-2-5/h3-5H,1-2H2,(H,14,16)
InChIKeyHRXNBYQEJWCHRV-UHFFFAOYSA-N
MW254.65 g/mol
LogP1.82
Rot. Bonds1

About 6-chloro-4-cyclopropyl-7-fluoro-1H-quinoxaline-2,3-dione

6-chloro-4-cyclopropyl-7-fluoro-1H-quinoxaline-2,3-dione (PubChem CID 67321255) has the molecular formula C11H8ClFN2O2 and a molecular weight of 254.65 g/mol. Its IUPAC name is 6-chloro-4-cyclopropyl-7-fluoro-1H-quinoxaline-2,3-dione.

Molecular Properties

Compound Name6-chloro-4-cyclopropyl-7-fluoro-1H-quinoxaline-2,3-dione
PubChem CID67321255
Molecular FormulaC11H8ClFN2O2
Molecular Weight254.65 g/mol
Exact Mass254.03
IUPAC Name6-chloro-4-cyclopropyl-7-fluoro-1H-quinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(F)c(Cl)cc2n(C2CC2)c1=O
InChIInChI=1S/C11H8ClFN2O2/c12-6-3-9-8(4-7(6)13)14-10(16)11(17)15(9)5-1-2-5/h3-5H,1-2H2,(H,14,16)
InChIKeyHRXNBYQEJWCHRV-UHFFFAOYSA-N
XLogP1.82
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 51.82
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 6-chloro-4-cyclopropyl-7-fluoro-1H-quinoxaline-2,3-dione?
The IUPAC name of 6-chloro-4-cyclopropyl-7-fluoro-1H-quinoxaline-2,3-dione (CID 67321255) is 6-chloro-4-cyclopropyl-7-fluoro-1H-quinoxaline-2,3-dione.
What is the SMILES notation for 6-chloro-4-cyclopropyl-7-fluoro-1H-quinoxaline-2,3-dione?
The canonical SMILES for 6-chloro-4-cyclopropyl-7-fluoro-1H-quinoxaline-2,3-dione is O=c1[nH]c2cc(F)c(Cl)cc2n(C2CC2)c1=O.
What is the InChIKey of 6-chloro-4-cyclopropyl-7-fluoro-1H-quinoxaline-2,3-dione?
The InChIKey is HRXNBYQEJWCHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O2/c12-6-3-9-8(4-7(6)13)14-10(16)11(17)15(9)5-1-2-5/h3-5H,1-2H2,(H,14,16).
What are the key properties of 6-chloro-4-cyclopropyl-7-fluoro-1H-quinoxaline-2,3-dione?
6-chloro-4-cyclopropyl-7-fluoro-1H-quinoxaline-2,3-dione has a molecular weight of 254.65 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-cyclopropyl-7-fluoro-1H-quinoxaline-2,3-dione is sourced from PubChem (CID 67321255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).