2-(2-fluoro-4-methylphenyl)imidazo[1,5-a]quinoxaline-5,10-diium-1,3-dione

C17H12FN3O2+2 — CID 123695352

IUPAC2-(2-fluoro-4-methylphenyl)imidazo[1,5-a]quinoxaline-5,10-diium-1,3-dione
SMILESCc1ccc(N2C(=O)c3c[nH+]c4ccccc4[n+]3C2=O)c(F)c1
InChIInChI=1S/C17H11FN3O2/c1-10-6-7-13(11(18)8-10)21-16(22)15-9-19-12-4-2-3-5-14(12)20(15)17(21)23/h2-9H,1H3/q+1/p+1
InChIKeyIVIWPAQGZYKKCX-UHFFFAOYSA-O
MW309.30 g/mol
LogP2.02
Rot. Bonds1

About 2-(2-fluoro-4-methylphenyl)imidazo[1,5-a]quinoxaline-5,10-diium-1,3-dione

2-(2-fluoro-4-methylphenyl)imidazo[1,5-a]quinoxaline-5,10-diium-1,3-dione (PubChem CID 123695352) has the molecular formula C17H12FN3O2+2 and a molecular weight of 309.30 g/mol. Its IUPAC name is 2-(2-fluoro-4-methylphenyl)imidazo[1,5-a]quinoxaline-5,10-diium-1,3-dione.

Molecular Properties

Compound Name2-(2-fluoro-4-methylphenyl)imidazo[1,5-a]quinoxaline-5,10-diium-1,3-dione
PubChem CID123695352
Molecular FormulaC17H12FN3O2+2
Molecular Weight309.30 g/mol
Exact Mass309.09
IUPAC Name2-(2-fluoro-4-methylphenyl)imidazo[1,5-a]quinoxaline-5,10-diium-1,3-dione
SMILESCc1ccc(N2C(=O)c3c[nH+]c4ccccc4[n+]3C2=O)c(F)c1
InChIInChI=1S/C17H11FN3O2/c1-10-6-7-13(11(18)8-10)21-16(22)15-9-19-12-4-2-3-5-14(12)20(15)17(21)23/h2-9H,1H3/q+1/p+1
InChIKeyIVIWPAQGZYKKCX-UHFFFAOYSA-O
XLogP2.02
TPSA55.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_het_A(9)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methylphenyl)imidazo[1,5-a]quinoxaline-5,10-diium-1,3-dione?
The IUPAC name of 2-(2-fluoro-4-methylphenyl)imidazo[1,5-a]quinoxaline-5,10-diium-1,3-dione (CID 123695352) is 2-(2-fluoro-4-methylphenyl)imidazo[1,5-a]quinoxaline-5,10-diium-1,3-dione.
What is the SMILES notation for 2-(2-fluoro-4-methylphenyl)imidazo[1,5-a]quinoxaline-5,10-diium-1,3-dione?
The canonical SMILES for 2-(2-fluoro-4-methylphenyl)imidazo[1,5-a]quinoxaline-5,10-diium-1,3-dione is Cc1ccc(N2C(=O)c3c[nH+]c4ccccc4[n+]3C2=O)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methylphenyl)imidazo[1,5-a]quinoxaline-5,10-diium-1,3-dione?
The InChIKey is IVIWPAQGZYKKCX-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H11FN3O2/c1-10-6-7-13(11(18)8-10)21-16(22)15-9-19-12-4-2-3-5-14(12)20(15)17(21)23/h2-9H,1H3/q+1/p+1.
What are the key properties of 2-(2-fluoro-4-methylphenyl)imidazo[1,5-a]quinoxaline-5,10-diium-1,3-dione?
2-(2-fluoro-4-methylphenyl)imidazo[1,5-a]quinoxaline-5,10-diium-1,3-dione has a molecular weight of 309.30 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methylphenyl)imidazo[1,5-a]quinoxaline-5,10-diium-1,3-dione is sourced from PubChem (CID 123695352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).