7-fluoro-3-(4-fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one

C19H15F2N3O — CID 10712110

IUPAC7-fluoro-3-(4-fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
SMILESCC(C)n1c(=O)c2c(-c3ccc(F)cc3)ncn2c2ccc(F)cc21
InChIInChI=1S/C19H15F2N3O/c1-11(2)24-16-9-14(21)7-8-15(16)23-10-22-17(18(23)19(24)25)12-3-5-13(20)6-4-12/h3-11H,1-2H3
InChIKeyHMSDEAVFDRGYSD-UHFFFAOYSA-N
MW339.35 g/mol
LogP4.18
Rot. Bonds2

About 7-fluoro-3-(4-fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one

7-fluoro-3-(4-fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one (PubChem CID 10712110) has the molecular formula C19H15F2N3O and a molecular weight of 339.35 g/mol. Its IUPAC name is 7-fluoro-3-(4-fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-fluoro-3-(4-fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
PubChem CID10712110
Molecular FormulaC19H15F2N3O
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name7-fluoro-3-(4-fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
SMILESCC(C)n1c(=O)c2c(-c3ccc(F)cc3)ncn2c2ccc(F)cc21
InChIInChI=1S/C19H15F2N3O/c1-11(2)24-16-9-14(21)7-8-15(16)23-10-22-17(18(23)19(24)25)12-3-5-13(20)6-4-12/h3-11H,1-2H3
InChIKeyHMSDEAVFDRGYSD-UHFFFAOYSA-N
XLogP4.18
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(4-fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 7-fluoro-3-(4-fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one (CID 10712110) is 7-fluoro-3-(4-fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 7-fluoro-3-(4-fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 7-fluoro-3-(4-fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one is CC(C)n1c(=O)c2c(-c3ccc(F)cc3)ncn2c2ccc(F)cc21.
What is the InChIKey of 7-fluoro-3-(4-fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The InChIKey is HMSDEAVFDRGYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O/c1-11(2)24-16-9-14(21)7-8-15(16)23-10-22-17(18(23)19(24)25)12-3-5-13(20)6-4-12/h3-11H,1-2H3.
What are the key properties of 7-fluoro-3-(4-fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
7-fluoro-3-(4-fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one has a molecular weight of 339.35 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(4-fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 10712110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).