6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one

C21H20ClN5O3 — CID 67889235

IUPAC6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one
SMILESCC1CC1c1nc(-c2ncn3c2c(=O)n(C2(C)CCCO2)c2c(Cl)cccc23)no1
InChIInChI=1S/C21H20ClN5O3/c1-11-9-12(11)19-24-18(25-30-19)15-17-20(28)27(21(2)7-4-8-29-21)16-13(22)5-3-6-14(16)26(17)10-23-15/h3,5-6,10-12H,4,7-9H2,1-2H3
InChIKeyVJOIVLCKOMNKFP-UHFFFAOYSA-N
MW425.88 g/mol
LogP3.96
Rot. Bonds3

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

6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one (PubChem CID 67889235) has the molecular formula C21H20ClN5O3 and a molecular weight of 425.88 g/mol. Its IUPAC name is 6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one
PubChem CID67889235
Molecular FormulaC21H20ClN5O3
Molecular Weight425.88 g/mol
Exact Mass425.13
IUPAC Name6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one
SMILESCC1CC1c1nc(-c2ncn3c2c(=O)n(C2(C)CCCO2)c2c(Cl)cccc23)no1
InChIInChI=1S/C21H20ClN5O3/c1-11-9-12(11)19-24-18(25-30-19)15-17-20(28)27(21(2)7-4-8-29-21)16-13(22)5-3-6-14(16)26(17)10-23-15/h3,5-6,10-12H,4,7-9H2,1-2H3
InChIKeyVJOIVLCKOMNKFP-UHFFFAOYSA-N
XLogP3.96
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.88
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67886927
5-(2-methyloxolan-2-yl)-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67886818
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
3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67889268
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
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
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
7-fluoro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one
CID 56614313
5-butan-2-yl-6-fluoro-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
CID 57129804
6-fluoro-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 67886168
5-butan-2-yl-6-chloro-3-[5-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67887047

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 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) is 6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one is CC1CC1c1nc(-c2ncn3c2c(=O)n(C2(C)CCCO2)c2c(Cl)cccc23)no1.
What is the InChIKey of 6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is VJOIVLCKOMNKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O3/c1-11-9-12(11)19-24-18(25-30-19)15-17-20(28)27(21(2)7-4-8-29-21)16-13(22)5-3-6-14(16)26(17)10-23-15/h3,5-6,10-12H,4,7-9H2,1-2H3.
What are the key properties of 6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one?
6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 425.88 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 67889235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).