6-chloro-3-[5-(1-methoxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one

C22H17ClN6O3 — CID 67886194

IUPAC6-chloro-3-[5-(1-methoxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
SMILESCOC1(c2nc(-c3ncn4c3c(=O)n(Cc3ccccn3)c3c(Cl)cccc34)no2)CC1
InChIInChI=1S/C22H17ClN6O3/c1-31-22(8-9-22)21-26-19(27-32-21)16-18-20(30)28(11-13-5-2-3-10-24-13)17-14(23)6-4-7-15(17)29(18)12-25-16/h2-7,10,12H,8-9,11H2,1H3
InChIKeyKEBAJMRFVGKHKX-UHFFFAOYSA-N
MW448.87 g/mol
LogP3.43
Rot. Bonds5

About 6-chloro-3-[5-(1-methoxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one

6-chloro-3-[5-(1-methoxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one (PubChem CID 67886194) has the molecular formula C22H17ClN6O3 and a molecular weight of 448.87 g/mol. Its IUPAC name is 6-chloro-3-[5-(1-methoxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name6-chloro-3-[5-(1-methoxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
PubChem CID67886194
Molecular FormulaC22H17ClN6O3
Molecular Weight448.87 g/mol
Exact Mass448.11
IUPAC Name6-chloro-3-[5-(1-methoxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
SMILESCOC1(c2nc(-c3ncn4c3c(=O)n(Cc3ccccn3)c3c(Cl)cccc34)no2)CC1
InChIInChI=1S/C22H17ClN6O3/c1-31-22(8-9-22)21-26-19(27-32-21)16-18-20(30)28(11-13-5-2-3-10-24-13)17-14(23)6-4-7-15(17)29(18)12-25-16/h2-7,10,12H,8-9,11H2,1H3
InChIKeyKEBAJMRFVGKHKX-UHFFFAOYSA-N
XLogP3.43
TPSA100.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.87
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-chloro-3-[5-(1-methoxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one with MolForge

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Related Compounds

3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67887135
6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67886927
6-fluoro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67886944
6-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67887304
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
6-chloro-3-[5-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one
CID 67886470
6-fluoro-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67888733
3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67887662
7-chloro-5-(1-hydroxypropan-2-yl)-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67886792
6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one
CID 56617043
6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one
CID 67889235
3-chloro-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 171351342

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[5-(1-methoxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 6-chloro-3-[5-(1-methoxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one (CID 67886194) is 6-chloro-3-[5-(1-methoxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 6-chloro-3-[5-(1-methoxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 6-chloro-3-[5-(1-methoxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one is COC1(c2nc(-c3ncn4c3c(=O)n(Cc3ccccn3)c3c(Cl)cccc34)no2)CC1.
What is the InChIKey of 6-chloro-3-[5-(1-methoxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is KEBAJMRFVGKHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN6O3/c1-31-22(8-9-22)21-26-19(27-32-21)16-18-20(30)28(11-13-5-2-3-10-24-13)17-14(23)6-4-7-15(17)29(18)12-25-16/h2-7,10,12H,8-9,11H2,1H3.
What are the key properties of 6-chloro-3-[5-(1-methoxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
6-chloro-3-[5-(1-methoxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 448.87 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[5-(1-methoxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 67886194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).