5-propan-2-yl-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]quinoxalin-4-one

C20H16F3N3O — CID 10523240

IUPAC5-propan-2-yl-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]quinoxalin-4-one
SMILESCC(C)n1c(=O)c2c(-c3cccc(C(F)(F)F)c3)ncn2c2ccccc21
InChIInChI=1S/C20H16F3N3O/c1-12(2)26-16-9-4-3-8-15(16)25-11-24-17(18(25)19(26)27)13-6-5-7-14(10-13)20(21,22)23/h3-12H,1-2H3
InChIKeyCZPGLAKETURALJ-UHFFFAOYSA-N
MW371.36 g/mol
LogP4.92
Rot. Bonds2

About 5-propan-2-yl-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]quinoxalin-4-one

5-propan-2-yl-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]quinoxalin-4-one (PubChem CID 10523240) has the molecular formula C20H16F3N3O and a molecular weight of 371.36 g/mol. Its IUPAC name is 5-propan-2-yl-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name5-propan-2-yl-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]quinoxalin-4-one
PubChem CID10523240
Molecular FormulaC20H16F3N3O
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Name5-propan-2-yl-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]quinoxalin-4-one
SMILESCC(C)n1c(=O)c2c(-c3cccc(C(F)(F)F)c3)ncn2c2ccccc21
InChIInChI=1S/C20H16F3N3O/c1-12(2)26-16-9-4-3-8-15(16)25-11-24-17(18(25)19(26)27)13-6-5-7-14(10-13)20(21,22)23/h3-12H,1-2H3
InChIKeyCZPGLAKETURALJ-UHFFFAOYSA-N
XLogP4.92
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 5-propan-2-yl-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]quinoxalin-4-one (CID 10523240) is 5-propan-2-yl-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 5-propan-2-yl-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 5-propan-2-yl-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]quinoxalin-4-one is CC(C)n1c(=O)c2c(-c3cccc(C(F)(F)F)c3)ncn2c2ccccc21.
What is the InChIKey of 5-propan-2-yl-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is CZPGLAKETURALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O/c1-12(2)26-16-9-4-3-8-15(16)25-11-24-17(18(25)19(26)27)13-6-5-7-14(10-13)20(21,22)23/h3-12H,1-2H3.
What are the key properties of 5-propan-2-yl-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]quinoxalin-4-one?
5-propan-2-yl-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 371.36 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 10523240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).