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

C20H18FN3O2 — CID 10569929

IUPAC7-fluoro-3-(4-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
SMILESCOc1ccc(-c2ncn3c2c(=O)n(C(C)C)c2cc(F)ccc23)cc1
InChIInChI=1S/C20H18FN3O2/c1-12(2)24-17-10-14(21)6-9-16(17)23-11-22-18(19(23)20(24)25)13-4-7-15(26-3)8-5-13/h4-12H,1-3H3
InChIKeyBGWZLGOWCXYYRI-UHFFFAOYSA-N
MW351.38 g/mol
LogP4.04
Rot. Bonds3

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

7-fluoro-3-(4-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one (PubChem CID 10569929) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 7-fluoro-3-(4-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-fluoro-3-(4-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
PubChem CID10569929
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name7-fluoro-3-(4-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
SMILESCOc1ccc(-c2ncn3c2c(=O)n(C(C)C)c2cc(F)ccc23)cc1
InChIInChI=1S/C20H18FN3O2/c1-12(2)24-17-10-14(21)6-9-16(17)23-11-22-18(19(23)20(24)25)13-4-7-15(26-3)8-5-13/h4-12H,1-3H3
InChIKeyBGWZLGOWCXYYRI-UHFFFAOYSA-N
XLogP4.04
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(4-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 7-fluoro-3-(4-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one (CID 10569929) is 7-fluoro-3-(4-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 7-fluoro-3-(4-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 7-fluoro-3-(4-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one is COc1ccc(-c2ncn3c2c(=O)n(C(C)C)c2cc(F)ccc23)cc1.
What is the InChIKey of 7-fluoro-3-(4-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The InChIKey is BGWZLGOWCXYYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-12(2)24-17-10-14(21)6-9-16(17)23-11-22-18(19(23)20(24)25)13-4-7-15(26-3)8-5-13/h4-12H,1-3H3.
What are the key properties of 7-fluoro-3-(4-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
7-fluoro-3-(4-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one has a molecular weight of 351.38 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(4-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 10569929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).