6-chloro-3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one

C21H22ClN5O3 — CID 67886933

IUPAC6-chloro-3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
SMILESCOC1(c2noc(-c3ncn4c3c(=O)n(C(C)C)c3c(Cl)cccc34)n2)CCCC1
InChIInChI=1S/C21H22ClN5O3/c1-12(2)27-16-13(22)7-6-8-14(16)26-11-23-15(17(26)19(27)28)18-24-20(25-30-18)21(29-3)9-4-5-10-21/h6-8,11-12H,4-5,9-10H2,1-3H3
InChIKeyMNMMYRXSWHLAJU-UHFFFAOYSA-N
MW427.89 g/mol
LogP4.35
Rot. Bonds4

About 6-chloro-3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one

6-chloro-3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one (PubChem CID 67886933) has the molecular formula C21H22ClN5O3 and a molecular weight of 427.89 g/mol. Its IUPAC name is 6-chloro-3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name6-chloro-3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
PubChem CID67886933
Molecular FormulaC21H22ClN5O3
Molecular Weight427.89 g/mol
Exact Mass427.14
IUPAC Name6-chloro-3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
SMILESCOC1(c2noc(-c3ncn4c3c(=O)n(C(C)C)c3c(Cl)cccc34)n2)CCCC1
InChIInChI=1S/C21H22ClN5O3/c1-12(2)27-16-13(22)7-6-8-14(16)26-11-23-15(17(26)19(27)28)18-24-20(25-30-18)21(29-3)9-4-5-10-21/h6-8,11-12H,4-5,9-10H2,1-3H3
InChIKeyMNMMYRXSWHLAJU-UHFFFAOYSA-N
XLogP4.35
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-chloro-3-[3-(1-hydroxycyclopentyl)-1,2,4-oxadiazol-5-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 67887520
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
5-(7-fluoro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole
CID 67887431
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
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-chloro-3-[3-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-oxo-5-propan-2-ylimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67886003
6-chloro-3-[3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67889253
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
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
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
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
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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 6-chloro-3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one (CID 67886933) is 6-chloro-3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 6-chloro-3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 6-chloro-3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one is COC1(c2noc(-c3ncn4c3c(=O)n(C(C)C)c3c(Cl)cccc34)n2)CCCC1.
What is the InChIKey of 6-chloro-3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The InChIKey is MNMMYRXSWHLAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O3/c1-12(2)27-16-13(22)7-6-8-14(16)26-11-23-15(17(26)19(27)28)18-24-20(25-30-18)21(29-3)9-4-5-10-21/h6-8,11-12H,4-5,9-10H2,1-3H3.
What are the key properties of 6-chloro-3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
6-chloro-3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one has a molecular weight of 427.89 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 67886933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).