7-chloro-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-4-oxo-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile

C24H23ClN6O4 — CID 67887036

About 7-chloro-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-4-oxo-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile

7-chloro-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-4-oxo-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile (PubChem CID 67887036) has the molecular formula C24H23ClN6O4 and a molecular weight of 494.94 g/mol. Its IUPAC name is 7-chloro-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-4-oxo-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile.

Molecular Properties

• Compound Name: 7-chloro-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-4-oxo-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile
• PubChem CID: 67887036
• Molecular Formula: C24H23ClN6O4
• Molecular Weight: 494.94 g/mol
• Exact Mass: 494.15
• IUPAC Name: 7-chloro-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-4-oxo-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile
• SMILES: COC1(c2nc(-c3ncn4c3c(=O)n(CC3CCCO3)c3c(C#N)c(Cl)ccc34)no2)CCCC1
• InChI: InChI=1S/C24H23ClN6O4/c1-33-24(8-2-3-9-24)23-28-21(29-35-23)18-20-22(32)30(12-14-5-4-10-34-14)19-15(11-26)16(25)6-7-17(19)31(20)13-27-18/h6-7,13-14H,2-5,8-10,12H2,1H3
• InChIKey: HZVWOKRBMQPXKT-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 120.47 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.94
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-4-oxo-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile?

The IUPAC name of 7-chloro-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-4-oxo-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile (CID 67887036) is 7-chloro-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-4-oxo-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile.

What is the SMILES notation for 7-chloro-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-4-oxo-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile?

The canonical SMILES for 7-chloro-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-4-oxo-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile is COC1(c2nc(-c3ncn4c3c(=O)n(CC3CCCO3)c3c(C#N)c(Cl)ccc34)no2)CCCC1.

What is the InChIKey of 7-chloro-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-4-oxo-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile?

The InChIKey is HZVWOKRBMQPXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O4/c1-33-24(8-2-3-9-24)23-28-21(29-35-23)18-20-22(32)30(12-14-5-4-10-34-14)19-15(11-26)16(25)6-7-17(19)31(20)13-27-18/h6-7,13-14H,2-5,8-10,12H2,1H3.

What are the key properties of 7-chloro-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-4-oxo-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile?

7-chloro-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-4-oxo-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile has a molecular weight of 494.94 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-4-oxo-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile is sourced from PubChem (CID 67887036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).