5-(2-morpholin-4-ylethyl)-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one

C22H24N6O4 — CID 67887527

IUPAC5-(2-morpholin-4-ylethyl)-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one
SMILESO=c1c2c(-c3nc(C4CCOC4)no3)ncn2c2ccccc2n1CCN1CCOCC1
InChIInChI=1S/C22H24N6O4/c29-22-19-18(21-24-20(25-32-21)15-5-10-31-13-15)23-14-28(19)17-4-2-1-3-16(17)27(22)7-6-26-8-11-30-12-9-26/h1-4,14-15H,5-13H2
InChIKeyDNGHURRBXRAKFZ-UHFFFAOYSA-N
MW436.47 g/mol
LogP1.54
Rot. Bonds5

About 5-(2-morpholin-4-ylethyl)-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one

5-(2-morpholin-4-ylethyl)-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one (PubChem CID 67887527) has the molecular formula C22H24N6O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is 5-(2-morpholin-4-ylethyl)-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name5-(2-morpholin-4-ylethyl)-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one
PubChem CID67887527
Molecular FormulaC22H24N6O4
Molecular Weight436.47 g/mol
Exact Mass436.19
IUPAC Name5-(2-morpholin-4-ylethyl)-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one
SMILESO=c1c2c(-c3nc(C4CCOC4)no3)ncn2c2ccccc2n1CCN1CCOCC1
InChIInChI=1S/C22H24N6O4/c29-22-19-18(21-24-20(25-32-21)15-5-10-31-13-15)23-14-28(19)17-4-2-1-3-16(17)27(22)7-6-26-8-11-30-12-9-26/h1-4,14-15H,5-13H2
InChIKeyDNGHURRBXRAKFZ-UHFFFAOYSA-N
XLogP1.54
TPSA99.92 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-(2-morpholin-4-ylethyl)-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 5-(2-morpholin-4-ylethyl)-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one (CID 67887527) is 5-(2-morpholin-4-ylethyl)-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 5-(2-morpholin-4-ylethyl)-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 5-(2-morpholin-4-ylethyl)-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one is O=c1c2c(-c3nc(C4CCOC4)no3)ncn2c2ccccc2n1CCN1CCOCC1.
What is the InChIKey of 5-(2-morpholin-4-ylethyl)-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is DNGHURRBXRAKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4/c29-22-19-18(21-24-20(25-32-21)15-5-10-31-13-15)23-14-28(19)17-4-2-1-3-16(17)27(22)7-6-26-8-11-30-12-9-26/h1-4,14-15H,5-13H2.
What are the key properties of 5-(2-morpholin-4-ylethyl)-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one?
5-(2-morpholin-4-ylethyl)-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 436.47 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-morpholin-4-ylethyl)-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 67887527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).