[7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone

C21H23ClN6O2 — CID 54572350

IUPAC[7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCCc1nc(-c2ncn3c2C(C)(C)N(C(=O)N2CCCC2)c2cc(Cl)ccc2-3)no1
InChIInChI=1S/C21H23ClN6O2/c1-4-16-24-19(25-30-16)17-18-21(2,3)28(20(29)26-9-5-6-10-26)15-11-13(22)7-8-14(15)27(18)12-23-17/h7-8,11-12H,4-6,9-10H2,1-3H3
InChIKeyZYEZCPZXADXXRN-UHFFFAOYSA-N
MW426.91 g/mol
LogP4.41
Rot. Bonds2

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

[7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 54572350) has the molecular formula C21H23ClN6O2 and a molecular weight of 426.91 g/mol. Its IUPAC name is [7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID54572350
Molecular FormulaC21H23ClN6O2
Molecular Weight426.91 g/mol
Exact Mass426.16
IUPAC Name[7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCCc1nc(-c2ncn3c2C(C)(C)N(C(=O)N2CCCC2)c2cc(Cl)ccc2-3)no1
InChIInChI=1S/C21H23ClN6O2/c1-4-16-24-19(25-30-16)17-18-21(2,3)28(20(29)26-9-5-6-10-26)15-11-13(22)7-8-14(15)27(18)12-23-17/h7-8,11-12H,4-6,9-10H2,1-3H3
InChIKeyZYEZCPZXADXXRN-UHFFFAOYSA-N
XLogP4.41
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of [7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone (CID 54572350) is [7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone is CCc1nc(-c2ncn3c2C(C)(C)N(C(=O)N2CCCC2)c2cc(Cl)ccc2-3)no1.
What is the InChIKey of [7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ZYEZCPZXADXXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O2/c1-4-16-24-19(25-30-16)17-18-21(2,3)28(20(29)26-9-5-6-10-26)15-11-13(22)7-8-14(15)27(18)12-23-17/h7-8,11-12H,4-6,9-10H2,1-3H3.
What are the key properties of [7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
[7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 426.91 g/mol, XLogP of 4.41, 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-ethyl-1,2,4-oxadiazol-3-yl)-4,4-dimethylimidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 54572350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).