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

C18H18N6O2 — CID 10360506

IUPAC3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
SMILESCN(C)C(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21
InChIInChI=1S/C18H18N6O2/c1-22(2)18(25)23-9-14-15(16-20-17(26-21-16)11-7-8-11)19-10-24(14)13-6-4-3-5-12(13)23/h3-6,10-11H,7-9H2,1-2H3
InChIKeyPCKMQUISQMUBKK-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.80
Rot. Bonds2

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

3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide (PubChem CID 10360506) 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,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide.

Molecular Properties

Compound Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
PubChem CID10360506
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
SMILESCN(C)C(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21
InChIInChI=1S/C18H18N6O2/c1-22(2)18(25)23-9-14-15(16-20-17(26-21-16)11-7-8-11)19-10-24(14)13-6-4-3-5-12(13)23/h3-6,10-11H,7-9H2,1-2H3
InChIKeyPCKMQUISQMUBKK-UHFFFAOYSA-N
XLogP2.80
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.80
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-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
The IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide (CID 10360506) is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-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-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
The canonical SMILES for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide is CN(C)C(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21.
What is the InChIKey of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
The InChIKey is PCKMQUISQMUBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-22(2)18(25)23-9-14-15(16-20-17(26-21-16)11-7-8-11)19-10-24(14)13-6-4-3-5-12(13)23/h3-6,10-11H,7-9H2,1-2H3.
What are the key properties of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 2.80, 2 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-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide is sourced from PubChem (CID 10360506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).