3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-5-[2-(3-hydroxypiperidin-1-yl)ethyl]imidazo[1,5-a]quinoxalin-4-one

C24H28N6O3 — CID 67889714

IUPAC3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-5-[2-(3-hydroxypiperidin-1-yl)ethyl]imidazo[1,5-a]quinoxalin-4-one
SMILESO=c1c2c(-c3noc(C4CCCC4)n3)ncn2c2ccccc2n1CCN1CCCC(O)C1
InChIInChI=1S/C24H28N6O3/c31-17-8-5-11-28(14-17)12-13-29-18-9-3-4-10-19(18)30-15-25-20(21(30)24(29)32)22-26-23(33-27-22)16-6-1-2-7-16/h3-4,9-10,15-17,31H,1-2,5-8,11-14H2
InChIKeyICQRIHLVMOCOLN-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.81
Rot. Bonds5

About 3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-5-[2-(3-hydroxypiperidin-1-yl)ethyl]imidazo[1,5-a]quinoxalin-4-one

3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-5-[2-(3-hydroxypiperidin-1-yl)ethyl]imidazo[1,5-a]quinoxalin-4-one (PubChem CID 67889714) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-5-[2-(3-hydroxypiperidin-1-yl)ethyl]imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-5-[2-(3-hydroxypiperidin-1-yl)ethyl]imidazo[1,5-a]quinoxalin-4-one
PubChem CID67889714
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-5-[2-(3-hydroxypiperidin-1-yl)ethyl]imidazo[1,5-a]quinoxalin-4-one
SMILESO=c1c2c(-c3noc(C4CCCC4)n3)ncn2c2ccccc2n1CCN1CCCC(O)C1
InChIInChI=1S/C24H28N6O3/c31-17-8-5-11-28(14-17)12-13-29-18-9-3-4-10-19(18)30-15-25-20(21(30)24(29)32)22-26-23(33-27-22)16-6-1-2-7-16/h3-4,9-10,15-17,31H,1-2,5-8,11-14H2
InChIKeyICQRIHLVMOCOLN-UHFFFAOYSA-N
XLogP2.81
TPSA101.69 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-5-[2-(3-hydroxypiperidin-1-yl)ethyl]imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-5-[2-(3-hydroxypiperidin-1-yl)ethyl]imidazo[1,5-a]quinoxalin-4-one (CID 67889714) is 3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-5-[2-(3-hydroxypiperidin-1-yl)ethyl]imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-5-[2-(3-hydroxypiperidin-1-yl)ethyl]imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-5-[2-(3-hydroxypiperidin-1-yl)ethyl]imidazo[1,5-a]quinoxalin-4-one is O=c1c2c(-c3noc(C4CCCC4)n3)ncn2c2ccccc2n1CCN1CCCC(O)C1.
What is the InChIKey of 3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-5-[2-(3-hydroxypiperidin-1-yl)ethyl]imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is ICQRIHLVMOCOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c31-17-8-5-11-28(14-17)12-13-29-18-9-3-4-10-19(18)30-15-25-20(21(30)24(29)32)22-26-23(33-27-22)16-6-1-2-7-16/h3-4,9-10,15-17,31H,1-2,5-8,11-14H2.
What are the key properties of 3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-5-[2-(3-hydroxypiperidin-1-yl)ethyl]imidazo[1,5-a]quinoxalin-4-one?
3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-5-[2-(3-hydroxypiperidin-1-yl)ethyl]imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 448.53 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-5-[2-(3-hydroxypiperidin-1-yl)ethyl]imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 67889714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).