[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-chloro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone

C21H23ClN6O2 — CID 22912942

IUPAC[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-chloro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)(C)c1nc(-c2ncn3c2CN(C(=O)N2CCCC2)c2cc(Cl)ccc2-3)no1
InChIInChI=1S/C21H23ClN6O2/c1-21(2,3)19-24-18(25-30-19)17-16-11-27(20(29)26-8-4-5-9-26)15-10-13(22)6-7-14(15)28(16)12-23-17/h6-7,10,12H,4-5,8-9,11H2,1-3H3
InChIKeyIQIHHUPQMMKQPK-UHFFFAOYSA-N
MW426.91 g/mol
LogP4.41
Rot. Bonds1

About [3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-chloro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone

[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-chloro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 22912942) has the molecular formula C21H23ClN6O2 and a molecular weight of 426.91 g/mol. Its IUPAC name is [3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-chloro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-chloro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID22912942
Molecular FormulaC21H23ClN6O2
Molecular Weight426.91 g/mol
Exact Mass426.16
IUPAC Name[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-chloro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)(C)c1nc(-c2ncn3c2CN(C(=O)N2CCCC2)c2cc(Cl)ccc2-3)no1
InChIInChI=1S/C21H23ClN6O2/c1-21(2,3)19-24-18(25-30-19)17-16-11-27(20(29)26-8-4-5-9-26)15-10-13(22)6-7-14(15)28(16)12-23-17/h6-7,10,12H,4-5,8-9,11H2,1-3H3
InChIKeyIQIHHUPQMMKQPK-UHFFFAOYSA-N
XLogP4.41
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.91
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-chloro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-chloro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-chloro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone (CID 22912942) is [3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-chloro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-chloro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-chloro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone is CC(C)(C)c1nc(-c2ncn3c2CN(C(=O)N2CCCC2)c2cc(Cl)ccc2-3)no1.
What is the InChIKey of [3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-chloro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is IQIHHUPQMMKQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O2/c1-21(2,3)19-24-18(25-30-19)17-16-11-27(20(29)26-8-4-5-9-26)15-10-13(22)6-7-14(15)28(16)12-23-17/h6-7,10,12H,4-5,8-9,11H2,1-3H3.
What are the key properties of [3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-chloro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-chloro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 426.91 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-chloro-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 22912942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).