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

C20H19N3O2 — CID 10568643

IUPAC3-(3-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
SMILESCOc1cccc(-c2ncn3c2c(=O)n(C(C)C)c2ccccc23)c1
InChIInChI=1S/C20H19N3O2/c1-13(2)23-17-10-5-4-9-16(17)22-12-21-18(19(22)20(23)24)14-7-6-8-15(11-14)25-3/h4-13H,1-3H3
InChIKeyPOLJGAXSGNGAGW-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.91
Rot. Bonds3

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

3-(3-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one (PubChem CID 10568643) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
PubChem CID10568643
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name3-(3-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
SMILESCOc1cccc(-c2ncn3c2c(=O)n(C(C)C)c2ccccc23)c1
InChIInChI=1S/C20H19N3O2/c1-13(2)23-17-10-5-4-9-16(17)22-12-21-18(19(22)20(23)24)14-7-6-8-15(11-14)25-3/h4-13H,1-3H3
InChIKeyPOLJGAXSGNGAGW-UHFFFAOYSA-N
XLogP3.91
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 3-(3-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one (CID 10568643) is 3-(3-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 3-(3-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one is COc1cccc(-c2ncn3c2c(=O)n(C(C)C)c2ccccc23)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The InChIKey is POLJGAXSGNGAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-13(2)23-17-10-5-4-9-16(17)22-12-21-18(19(22)20(23)24)14-7-6-8-15(11-14)25-3/h4-13H,1-3H3.
What are the key properties of 3-(3-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
3-(3-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one has a molecular weight of 333.39 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 10568643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).