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

C21H22N6O4 — CID 67887544

IUPAC3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one
SMILESO=c1c2c(-c3nc(C4(O)CC4)no3)ncn2c2ccccc2n1CCN1CCOCC1
InChIInChI=1S/C21H22N6O4/c28-19-17-16(18-23-20(24-31-18)21(29)5-6-21)22-13-27(17)15-4-2-1-3-14(15)26(19)8-7-25-9-11-30-12-10-25/h1-4,13,29H,5-12H2
InChIKeyDPNAHEIFLZOZNB-UHFFFAOYSA-N
MW422.45 g/mol
LogP1.01
Rot. Bonds5

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

3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one (PubChem CID 67887544) has the molecular formula C21H22N6O4 and a molecular weight of 422.45 g/mol. Its IUPAC name is 3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one
PubChem CID67887544
Molecular FormulaC21H22N6O4
Molecular Weight422.45 g/mol
Exact Mass422.17
IUPAC Name3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one
SMILESO=c1c2c(-c3nc(C4(O)CC4)no3)ncn2c2ccccc2n1CCN1CCOCC1
InChIInChI=1S/C21H22N6O4/c28-19-17-16(18-23-20(24-31-18)21(29)5-6-21)22-13-27(17)15-4-2-1-3-14(15)26(19)8-7-25-9-11-30-12-10-25/h1-4,13,29H,5-12H2
InChIKeyDPNAHEIFLZOZNB-UHFFFAOYSA-N
XLogP1.01
TPSA110.92 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

7-chloro-3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(2-morpholin-4-ylethyl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67886730
3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67887662
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
6-chloro-3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one
CID 56635280
3-[5-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-[2-(4-hydroxypiperidin-1-yl)ethyl]imidazo[1,5-a]quinoxalin-4-one
CID 67889406
6-fluoro-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67886891
7-fluoro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67889655
6-chloro-3-[3-(1-hydroxycyclopentyl)-1,2,4-oxadiazol-5-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 67887520
1-[5-(6-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-ol
CID 67886842
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
3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67886024
5-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67888939

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one (CID 67887544) is 3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one is O=c1c2c(-c3nc(C4(O)CC4)no3)ncn2c2ccccc2n1CCN1CCOCC1.
What is the InChIKey of 3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is DPNAHEIFLZOZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O4/c28-19-17-16(18-23-20(24-31-18)21(29)5-6-21)22-13-27(17)15-4-2-1-3-14(15)26(19)8-7-25-9-11-30-12-10-25/h1-4,13,29H,5-12H2.
What are the key properties of 3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one?
3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 422.45 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 67887544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).