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

C22H20ClN7O4 — CID 67886730

IUPAC7-chloro-3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(2-morpholin-4-ylethyl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
SMILESN#Cc1c(Cl)ccc2c1n(CCN1CCOCC1)c(=O)c1c(-c3nc(C4(O)CC4)no3)ncn12
InChIInChI=1S/C22H20ClN7O4/c23-14-1-2-15-17(13(14)11-24)29(6-5-28-7-9-33-10-8-28)20(31)18-16(25-12-30(15)18)19-26-21(27-34-19)22(32)3-4-22/h1-2,12,32H,3-10H2
InChIKeyGUGPFZXNJIQDDR-UHFFFAOYSA-N
MW481.90 g/mol
LogP1.54
Rot. Bonds5

About 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

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 (PubChem CID 67886730) has the molecular formula C22H20ClN7O4 and a molecular weight of 481.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-chloro-3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(2-morpholin-4-ylethyl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
PubChem CID67886730
Molecular FormulaC22H20ClN7O4
Molecular Weight481.90 g/mol
Exact Mass481.13
IUPAC Name7-chloro-3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(2-morpholin-4-ylethyl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
SMILESN#Cc1c(Cl)ccc2c1n(CCN1CCOCC1)c(=O)c1c(-c3nc(C4(O)CC4)no3)ncn12
InChIInChI=1S/C22H20ClN7O4/c23-14-1-2-15-17(13(14)11-24)29(6-5-28-7-9-33-10-8-28)20(31)18-16(25-12-30(15)18)19-26-21(27-34-19)22(32)3-4-22/h1-2,12,32H,3-10H2
InChIKeyGUGPFZXNJIQDDR-UHFFFAOYSA-N
XLogP1.54
TPSA134.71 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.90
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Related Compounds

3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67887544
7-chloro-5-(2-morpholin-4-ylethyl)-4-oxo-3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67889132
7-chloro-3-[5-(1-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-5-(2-morpholin-4-ylethyl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67886701
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
7-fluoro-5-(2-morpholin-4-ylethyl)-4-oxo-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67888144
7-fluoro-3-[5-(1-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-5-(2-morpholin-4-ylethyl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67888335
5-butan-2-yl-7-chloro-3-[5-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 56618738
3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67887662
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
6-chloro-3-[3-(1-hydroxycyclopentyl)-1,2,4-oxadiazol-5-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 67887520
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1c(Cl)ccc2c1n(CCN1CCOCC1)c(=O)c1c(-c3nc(C4(O)CC4)no3)ncn12.
What is the InChIKey of 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?
The InChIKey is GUGPFZXNJIQDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN7O4/c23-14-1-2-15-17(13(14)11-24)29(6-5-28-7-9-33-10-8-28)20(31)18-16(25-12-30(15)18)19-26-21(27-34-19)22(32)3-4-22/h1-2,12,32H,3-10H2.
What are the key properties of 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?
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 has a molecular weight of 481.90 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 67886730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).