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

C21H21N3O2 — CID 10593763

IUPAC3-(4-methoxyphenyl)-6-methyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
SMILESCOc1ccc(-c2ncn3c2c(=O)n(C(C)C)c2c(C)cccc23)cc1
InChIInChI=1S/C21H21N3O2/c1-13(2)24-19-14(3)6-5-7-17(19)23-12-22-18(20(23)21(24)25)15-8-10-16(26-4)11-9-15/h5-13H,1-4H3
InChIKeyLEQWJVMWXBZLPN-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.21
Rot. Bonds3

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

3-(4-methoxyphenyl)-6-methyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one (PubChem CID 10593763) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-6-methyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-6-methyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
PubChem CID10593763
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name3-(4-methoxyphenyl)-6-methyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
SMILESCOc1ccc(-c2ncn3c2c(=O)n(C(C)C)c2c(C)cccc23)cc1
InChIInChI=1S/C21H21N3O2/c1-13(2)24-19-14(3)6-5-7-17(19)23-12-22-18(20(23)21(24)25)15-8-10-16(26-4)11-9-15/h5-13H,1-4H3
InChIKeyLEQWJVMWXBZLPN-UHFFFAOYSA-N
XLogP4.21
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-6-methyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-6-methyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one (CID 10593763) is 3-(4-methoxyphenyl)-6-methyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-6-methyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-6-methyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one is COc1ccc(-c2ncn3c2c(=O)n(C(C)C)c2c(C)cccc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-6-methyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The InChIKey is LEQWJVMWXBZLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-13(2)24-19-14(3)6-5-7-17(19)23-12-22-18(20(23)21(24)25)15-8-10-16(26-4)11-9-15/h5-13H,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)-6-methyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
3-(4-methoxyphenyl)-6-methyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one has a molecular weight of 347.42 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-6-methyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 10593763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).