7-chloro-5-[2-(2-methoxyethoxy)ethyl]-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile

C22H21ClN6O4 — CID 56634546

About 7-chloro-5-[2-(2-methoxyethoxy)ethyl]-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile

7-chloro-5-[2-(2-methoxyethoxy)ethyl]-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile (PubChem CID 56634546) has the molecular formula C22H21ClN6O4 and a molecular weight of 468.90 g/mol. Its IUPAC name is 7-chloro-5-[2-(2-methoxyethoxy)ethyl]-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile.

Molecular Properties

• Compound Name: 7-chloro-5-[2-(2-methoxyethoxy)ethyl]-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
• PubChem CID: 56634546
• Molecular Formula: C22H21ClN6O4
• Molecular Weight: 468.90 g/mol
• Exact Mass: 468.13
• IUPAC Name: 7-chloro-5-[2-(2-methoxyethoxy)ethyl]-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
• SMILES: COCCOCCn1c(=O)c2c(-c3nc(C4(C)CC4)no3)ncn2c2ccc(Cl)c(C#N)c21
• InChI: InChI=1S/C22H21ClN6O4/c1-22(5-6-22)21-26-19(33-27-21)16-18-20(30)28(7-8-32-10-9-31-2)17-13(11-24)14(23)3-4-15(17)29(18)12-25-16/h3-4,12H,5-10H2,1-2H3
• InChIKey: RDYYZPUAKYTOPX-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 120.47 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.90
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-[2-(2-methoxyethoxy)ethyl]-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile?

The IUPAC name of 7-chloro-5-[2-(2-methoxyethoxy)ethyl]-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile (CID 56634546) is 7-chloro-5-[2-(2-methoxyethoxy)ethyl]-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile.

What is the SMILES notation for 7-chloro-5-[2-(2-methoxyethoxy)ethyl]-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile?

The canonical SMILES for 7-chloro-5-[2-(2-methoxyethoxy)ethyl]-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile is COCCOCCn1c(=O)c2c(-c3nc(C4(C)CC4)no3)ncn2c2ccc(Cl)c(C#N)c21.

What is the InChIKey of 7-chloro-5-[2-(2-methoxyethoxy)ethyl]-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile?

The InChIKey is RDYYZPUAKYTOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O4/c1-22(5-6-22)21-26-19(33-27-21)16-18-20(30)28(7-8-32-10-9-31-2)17-13(11-24)14(23)3-4-15(17)29(18)12-25-16/h3-4,12H,5-10H2,1-2H3.

What are the key properties of 7-chloro-5-[2-(2-methoxyethoxy)ethyl]-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile?

7-chloro-5-[2-(2-methoxyethoxy)ethyl]-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile has a molecular weight of 468.90 g/mol, XLogP of 2.94, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-5-[2-(2-methoxyethoxy)ethyl]-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile is sourced from PubChem (CID 56634546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).