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

C17H16N6O2 — CID 10735585

IUPAC3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
SMILESCNC(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21
InChIInChI=1S/C17H16N6O2/c1-18-17(24)22-8-13-14(15-20-16(25-21-15)10-6-7-10)19-9-23(13)12-5-3-2-4-11(12)22/h2-5,9-10H,6-8H2,1H3,(H,18,24)
InChIKeyXKZAHVUPOZQVAN-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.46
Rot. Bonds2

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

3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide (PubChem CID 10735585) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide.

Molecular Properties

Compound Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
PubChem CID10735585
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
SMILESCNC(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21
InChIInChI=1S/C17H16N6O2/c1-18-17(24)22-8-13-14(15-20-16(25-21-15)10-6-7-10)19-9-23(13)12-5-3-2-4-11(12)22/h2-5,9-10H,6-8H2,1H3,(H,18,24)
InChIKeyXKZAHVUPOZQVAN-UHFFFAOYSA-N
XLogP2.46
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.46
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-methyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
The IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide (CID 10735585) is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide.
What is the SMILES notation for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
The canonical SMILES for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide is CNC(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21.
What is the InChIKey of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
The InChIKey is XKZAHVUPOZQVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c1-18-17(24)22-8-13-14(15-20-16(25-21-15)10-6-7-10)19-9-23(13)12-5-3-2-4-11(12)22/h2-5,9-10H,6-8H2,1H3,(H,18,24).
What are the key properties of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide has a molecular weight of 336.36 g/mol, XLogP of 2.46, 2 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-methyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide is sourced from PubChem (CID 10735585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).