[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone

C19H20N6O2 — CID 10713806

IUPAC[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCCc1nc(-c2ncn3c2CN(C(=O)N2CCCC2)c2ccccc2-3)no1
InChIInChI=1S/C19H20N6O2/c1-2-16-21-18(22-27-16)17-15-11-24(19(26)23-9-5-6-10-23)13-7-3-4-8-14(13)25(15)12-20-17/h3-4,7-8,12H,2,5-6,9-11H2,1H3
InChIKeyXCQNPGCHYUZKDM-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.02
Rot. Bonds2

About [3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone

[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 10713806) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is [3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID10713806
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCCc1nc(-c2ncn3c2CN(C(=O)N2CCCC2)c2ccccc2-3)no1
InChIInChI=1S/C19H20N6O2/c1-2-16-21-18(22-27-16)17-15-11-24(19(26)23-9-5-6-10-23)13-7-3-4-8-14(13)25(15)12-20-17/h3-4,7-8,12H,2,5-6,9-11H2,1H3
InChIKeyXCQNPGCHYUZKDM-UHFFFAOYSA-N
XLogP3.02
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone (CID 10713806) is [3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone is CCc1nc(-c2ncn3c2CN(C(=O)N2CCCC2)c2ccccc2-3)no1.
What is the InChIKey of [3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is XCQNPGCHYUZKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-2-16-21-18(22-27-16)17-15-11-24(19(26)23-9-5-6-10-23)13-7-3-4-8-14(13)25(15)12-20-17/h3-4,7-8,12H,2,5-6,9-11H2,1H3.
What are the key properties of [3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 364.41 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 10713806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).