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

C20H22N6O2 — CID 10091056

IUPAC3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N,N-diethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
SMILESCCN(CC)C(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21
InChIInChI=1S/C20H22N6O2/c1-3-24(4-2)20(27)25-11-16-17(18-22-19(28-23-18)13-9-10-13)21-12-26(16)15-8-6-5-7-14(15)25/h5-8,12-13H,3-4,9-11H2,1-2H3
InChIKeyNABOYWKNYWCRRS-UHFFFAOYSA-N
MW378.44 g/mol
LogP3.58
Rot. Bonds4

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

3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N,N-diethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide (PubChem CID 10091056) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N,N-diethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide.

Molecular Properties

Compound Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N,N-diethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
PubChem CID10091056
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N,N-diethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
SMILESCCN(CC)C(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21
InChIInChI=1S/C20H22N6O2/c1-3-24(4-2)20(27)25-11-16-17(18-22-19(28-23-18)13-9-10-13)21-12-26(16)15-8-6-5-7-14(15)25/h5-8,12-13H,3-4,9-11H2,1-2H3
InChIKeyNABOYWKNYWCRRS-UHFFFAOYSA-N
XLogP3.58
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 53.58
H-Bond Donors ≤ 50
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,N-diethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
The IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N,N-diethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide (CID 10091056) is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N,N-diethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide.
What is the SMILES notation for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N,N-diethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
The canonical SMILES for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N,N-diethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide is CCN(CC)C(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21.
What is the InChIKey of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N,N-diethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
The InChIKey is NABOYWKNYWCRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-3-24(4-2)20(27)25-11-16-17(18-22-19(28-23-18)13-9-10-13)21-12-26(16)15-8-6-5-7-14(15)25/h5-8,12-13H,3-4,9-11H2,1-2H3.
What are the key properties of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N,N-diethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N,N-diethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 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,N-diethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide is sourced from PubChem (CID 10091056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).