3-(4-fluorophenyl)-6-methyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one

C20H18FN3O — CID 10616779

IUPAC3-(4-fluorophenyl)-6-methyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
SMILESCc1cccc2c1n(C(C)C)c(=O)c1c(-c3ccc(F)cc3)ncn12
InChIInChI=1S/C20H18FN3O/c1-12(2)24-18-13(3)5-4-6-16(18)23-11-22-17(19(23)20(24)25)14-7-9-15(21)10-8-14/h4-12H,1-3H3
InChIKeyWEGAJSCPECVSOK-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.34
Rot. Bonds2

About 3-(4-fluorophenyl)-6-methyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one

3-(4-fluorophenyl)-6-methyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one (PubChem CID 10616779) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-methyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-methyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
PubChem CID10616779
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name3-(4-fluorophenyl)-6-methyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
SMILESCc1cccc2c1n(C(C)C)c(=O)c1c(-c3ccc(F)cc3)ncn12
InChIInChI=1S/C20H18FN3O/c1-12(2)24-18-13(3)5-4-6-16(18)23-11-22-17(19(23)20(24)25)14-7-9-15(21)10-8-14/h4-12H,1-3H3
InChIKeyWEGAJSCPECVSOK-UHFFFAOYSA-N
XLogP4.34
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-methyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-6-methyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one (CID 10616779) is 3-(4-fluorophenyl)-6-methyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-6-methyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-6-methyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one is Cc1cccc2c1n(C(C)C)c(=O)c1c(-c3ccc(F)cc3)ncn12.
What is the InChIKey of 3-(4-fluorophenyl)-6-methyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The InChIKey is WEGAJSCPECVSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-12(2)24-18-13(3)5-4-6-16(18)23-11-22-17(19(23)20(24)25)14-7-9-15(21)10-8-14/h4-12H,1-3H3.
What are the key properties of 3-(4-fluorophenyl)-6-methyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
3-(4-fluorophenyl)-6-methyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one has a molecular weight of 335.38 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6-methyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 10616779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).