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

C20H21ClN6O2 — CID 22912967

IUPAC[7-chloro-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)c1nc(-c2ncn3c2CN(C(=O)N2CCCC2)c2cc(Cl)ccc2-3)no1
InChIInChI=1S/C20H21ClN6O2/c1-12(2)19-23-18(24-29-19)17-16-10-26(20(28)25-7-3-4-8-25)15-9-13(21)5-6-14(15)27(16)11-22-17/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3
InChIKeyQIGYJLHGIXEGNG-UHFFFAOYSA-N
MW412.88 g/mol
LogP4.23
Rot. Bonds2

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

[7-chloro-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 22912967) has the molecular formula C20H21ClN6O2 and a molecular weight of 412.88 g/mol. Its IUPAC name is [7-chloro-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[7-chloro-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID22912967
Molecular FormulaC20H21ClN6O2
Molecular Weight412.88 g/mol
Exact Mass412.14
IUPAC Name[7-chloro-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)c1nc(-c2ncn3c2CN(C(=O)N2CCCC2)c2cc(Cl)ccc2-3)no1
InChIInChI=1S/C20H21ClN6O2/c1-12(2)19-23-18(24-29-19)17-16-10-26(20(28)25-7-3-4-8-25)15-9-13(21)5-6-14(15)27(16)11-22-17/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3
InChIKeyQIGYJLHGIXEGNG-UHFFFAOYSA-N
XLogP4.23
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [7-chloro-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [7-chloro-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone (CID 22912967) is [7-chloro-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [7-chloro-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [7-chloro-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone is CC(C)c1nc(-c2ncn3c2CN(C(=O)N2CCCC2)c2cc(Cl)ccc2-3)no1.
What is the InChIKey of [7-chloro-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is QIGYJLHGIXEGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O2/c1-12(2)19-23-18(24-29-19)17-16-10-26(20(28)25-7-3-4-8-25)15-9-13(21)5-6-14(15)27(16)11-22-17/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3.
What are the key properties of [7-chloro-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
[7-chloro-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 412.88 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-chloro-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 22912967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).