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

C23H22ClN7O4 — CID 67889132

IUPAC7-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
SMILESN#Cc1c(Cl)ccc2c1n(CCN1CCOCC1)c(=O)c1c(-c3nc(C4CCCO4)no3)ncn12
InChIInChI=1S/C23H22ClN7O4/c24-15-3-4-16-19(14(15)12-25)30(6-5-29-7-10-33-11-8-29)23(32)20-18(26-13-31(16)20)22-27-21(28-35-22)17-2-1-9-34-17/h3-4,13,17H,1-2,5-11H2
InChIKeyBBEPTAGZFYWPJO-UHFFFAOYSA-N
MW495.93 g/mol
LogP2.41
Rot. Bonds5

About 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

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 (PubChem CID 67889132) has the molecular formula C23H22ClN7O4 and a molecular weight of 495.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID67889132
Molecular FormulaC23H22ClN7O4
Molecular Weight495.93 g/mol
Exact Mass495.14
IUPAC Name7-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
SMILESN#Cc1c(Cl)ccc2c1n(CCN1CCOCC1)c(=O)c1c(-c3nc(C4CCCO4)no3)ncn12
InChIInChI=1S/C23H22ClN7O4/c24-15-3-4-16-19(14(15)12-25)30(6-5-29-7-10-33-11-8-29)23(32)20-18(26-13-31(16)20)22-27-21(28-35-22)17-2-1-9-34-17/h3-4,13,17H,1-2,5-11H2
InChIKeyBBEPTAGZFYWPJO-UHFFFAOYSA-N
XLogP2.41
TPSA123.71 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.93
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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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
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-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
7-fluoro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-oxo-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67889767
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
6-chloro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67889233
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
7-chloro-3-[5-(1-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-4-oxo-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67889759
7-chloro-5-[2-(2-methoxyethoxy)ethyl]-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 56634546
7-chloro-3-[5-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-4-oxo-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67888260
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1c(Cl)ccc2c1n(CCN1CCOCC1)c(=O)c1c(-c3nc(C4CCCO4)no3)ncn12.
What is the InChIKey of 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?
The InChIKey is BBEPTAGZFYWPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN7O4/c24-15-3-4-16-19(14(15)12-25)30(6-5-29-7-10-33-11-8-29)23(32)20-18(26-13-31(16)20)22-27-21(28-35-22)17-2-1-9-34-17/h3-4,13,17H,1-2,5-11H2.
What are the key properties of 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?
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 has a molecular weight of 495.93 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 67889132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).