3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-ethyl-6-methylimidazo[1,5-a]quinoxalin-4-one

C18H17N5O2 — CID 19980315

IUPAC3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-ethyl-6-methylimidazo[1,5-a]quinoxalin-4-one
SMILESCCn1c(=O)c2c(-c3nc(C4CC4)no3)ncn2c2cccc(C)c21
InChIInChI=1S/C18H17N5O2/c1-3-22-14-10(2)5-4-6-12(14)23-9-19-13(15(23)18(22)24)17-20-16(21-25-17)11-7-8-11/h4-6,9,11H,3,7-8H2,1-2H3
InChIKeyLZAAMKXTWOZMBS-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.90
Rot. Bonds3

About 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-ethyl-6-methylimidazo[1,5-a]quinoxalin-4-one

3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-ethyl-6-methylimidazo[1,5-a]quinoxalin-4-one (PubChem CID 19980315) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-ethyl-6-methylimidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-ethyl-6-methylimidazo[1,5-a]quinoxalin-4-one
PubChem CID19980315
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-ethyl-6-methylimidazo[1,5-a]quinoxalin-4-one
SMILESCCn1c(=O)c2c(-c3nc(C4CC4)no3)ncn2c2cccc(C)c21
InChIInChI=1S/C18H17N5O2/c1-3-22-14-10(2)5-4-6-12(14)23-9-19-13(15(23)18(22)24)17-20-16(21-25-17)11-7-8-11/h4-6,9,11H,3,7-8H2,1-2H3
InChIKeyLZAAMKXTWOZMBS-UHFFFAOYSA-N
XLogP2.90
TPSA78.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-ethyl-6-methylimidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-ethyl-6-methylimidazo[1,5-a]quinoxalin-4-one (CID 19980315) is 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-ethyl-6-methylimidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-ethyl-6-methylimidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-ethyl-6-methylimidazo[1,5-a]quinoxalin-4-one is CCn1c(=O)c2c(-c3nc(C4CC4)no3)ncn2c2cccc(C)c21.
What is the InChIKey of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-ethyl-6-methylimidazo[1,5-a]quinoxalin-4-one?
The InChIKey is LZAAMKXTWOZMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-3-22-14-10(2)5-4-6-12(14)23-9-19-13(15(23)18(22)24)17-20-16(21-25-17)11-7-8-11/h4-6,9,11H,3,7-8H2,1-2H3.
What are the key properties of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-ethyl-6-methylimidazo[1,5-a]quinoxalin-4-one?
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-ethyl-6-methylimidazo[1,5-a]quinoxalin-4-one has a molecular weight of 335.37 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-ethyl-6-methylimidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 19980315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).