3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide

C18H18N6O2 — CID 10617831

IUPAC3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
SMILESCCNC(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21
InChIInChI=1S/C18H18N6O2/c1-2-19-18(25)23-9-14-15(16-21-17(26-22-16)11-7-8-11)20-10-24(14)13-6-4-3-5-12(13)23/h3-6,10-11H,2,7-9H2,1H3,(H,19,25)
InChIKeyPPLHNABOBXLAJU-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.85
Rot. Bonds3

About 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide

3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide (PubChem CID 10617831) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide.

Molecular Properties

Compound Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
PubChem CID10617831
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
SMILESCCNC(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21
InChIInChI=1S/C18H18N6O2/c1-2-19-18(25)23-9-14-15(16-21-17(26-22-16)11-7-8-11)20-10-24(14)13-6-4-3-5-12(13)23/h3-6,10-11H,2,7-9H2,1H3,(H,19,25)
InChIKeyPPLHNABOBXLAJU-UHFFFAOYSA-N
XLogP2.85
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
The IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide (CID 10617831) is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide.
What is the SMILES notation for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
The canonical SMILES for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide is CCNC(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21.
What is the InChIKey of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
The InChIKey is PPLHNABOBXLAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-2-19-18(25)23-9-14-15(16-21-17(26-22-16)11-7-8-11)20-10-24(14)13-6-4-3-5-12(13)23/h3-6,10-11H,2,7-9H2,1H3,(H,19,25).
What are the key properties of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide is sourced from PubChem (CID 10617831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).