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

C19H16FN3O — CID 10687223

IUPAC7-fluoro-3-phenyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
SMILESCC(C)n1c(=O)c2c(-c3ccccc3)ncn2c2ccc(F)cc21
InChIInChI=1S/C19H16FN3O/c1-12(2)23-16-10-14(20)8-9-15(16)22-11-21-17(18(22)19(23)24)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyAZWSDHHEOBSGGJ-UHFFFAOYSA-N
MW321.36 g/mol
LogP4.04
Rot. Bonds2

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

7-fluoro-3-phenyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one (PubChem CID 10687223) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is 7-fluoro-3-phenyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-fluoro-3-phenyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
PubChem CID10687223
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name7-fluoro-3-phenyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
SMILESCC(C)n1c(=O)c2c(-c3ccccc3)ncn2c2ccc(F)cc21
InChIInChI=1S/C19H16FN3O/c1-12(2)23-16-10-14(20)8-9-15(16)22-11-21-17(18(22)19(23)24)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyAZWSDHHEOBSGGJ-UHFFFAOYSA-N
XLogP4.04
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-phenyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 7-fluoro-3-phenyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one (CID 10687223) is 7-fluoro-3-phenyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 7-fluoro-3-phenyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 7-fluoro-3-phenyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one is CC(C)n1c(=O)c2c(-c3ccccc3)ncn2c2ccc(F)cc21.
What is the InChIKey of 7-fluoro-3-phenyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The InChIKey is AZWSDHHEOBSGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c1-12(2)23-16-10-14(20)8-9-15(16)22-11-21-17(18(22)19(23)24)13-6-4-3-5-7-13/h3-12H,1-2H3.
What are the key properties of 7-fluoro-3-phenyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
7-fluoro-3-phenyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one has a molecular weight of 321.36 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-phenyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 10687223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).