6-fluoro-7-imidazol-1-yl-1,4-dihydroquinoxaline-2,3-dione

C11H7FN4O2 — CID 10105943

IUPAC6-fluoro-7-imidazol-1-yl-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(F)c(-n3ccnc3)cc2[nH]c1=O
InChIInChI=1S/C11H7FN4O2/c12-6-3-7-8(15-11(18)10(17)14-7)4-9(6)16-2-1-13-5-16/h1-5H,(H,14,17)(H,15,18)
InChIKeyDMBXJBJDRVDUCE-UHFFFAOYSA-N
MW246.20 g/mol
LogP0.54
Rot. Bonds1

About 6-fluoro-7-imidazol-1-yl-1,4-dihydroquinoxaline-2,3-dione

6-fluoro-7-imidazol-1-yl-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 10105943) has the molecular formula C11H7FN4O2 and a molecular weight of 246.20 g/mol. Its IUPAC name is 6-fluoro-7-imidazol-1-yl-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-fluoro-7-imidazol-1-yl-1,4-dihydroquinoxaline-2,3-dione
PubChem CID10105943
Molecular FormulaC11H7FN4O2
Molecular Weight246.20 g/mol
Exact Mass246.06
IUPAC Name6-fluoro-7-imidazol-1-yl-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(F)c(-n3ccnc3)cc2[nH]c1=O
InChIInChI=1S/C11H7FN4O2/c12-6-3-7-8(15-11(18)10(17)14-7)4-9(6)16-2-1-13-5-16/h1-5H,(H,14,17)(H,15,18)
InChIKeyDMBXJBJDRVDUCE-UHFFFAOYSA-N
XLogP0.54
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.20
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-fluoro-7-imidazol-1-yl-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-fluoro-7-imidazol-1-yl-1,4-dihydroquinoxaline-2,3-dione (CID 10105943) is 6-fluoro-7-imidazol-1-yl-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-fluoro-7-imidazol-1-yl-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-fluoro-7-imidazol-1-yl-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2cc(F)c(-n3ccnc3)cc2[nH]c1=O.
What is the InChIKey of 6-fluoro-7-imidazol-1-yl-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is DMBXJBJDRVDUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN4O2/c12-6-3-7-8(15-11(18)10(17)14-7)4-9(6)16-2-1-13-5-16/h1-5H,(H,14,17)(H,15,18).
What are the key properties of 6-fluoro-7-imidazol-1-yl-1,4-dihydroquinoxaline-2,3-dione?
6-fluoro-7-imidazol-1-yl-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 246.20 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-imidazol-1-yl-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 10105943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).