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

C20H16ClN5O3 — CID 67889458

IUPAC7-chloro-3-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
SMILESCc1ccc(-c2nc(-c3ncn4c3c(=O)n(C(C)C)c3cc(Cl)ccc34)no2)o1
InChIInChI=1S/C20H16ClN5O3/c1-10(2)26-14-8-12(21)5-6-13(14)25-9-22-16(17(25)20(26)27)18-23-19(29-24-18)15-7-4-11(3)28-15/h4-10H,1-3H3
InChIKeyGDNSCXPHDGBDLG-UHFFFAOYSA-N
MW409.83 g/mol
LogP4.50
Rot. Bonds3

About 7-chloro-3-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one

7-chloro-3-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one (PubChem CID 67889458) has the molecular formula C20H16ClN5O3 and a molecular weight of 409.83 g/mol. Its IUPAC name is 7-chloro-3-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-chloro-3-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
PubChem CID67889458
Molecular FormulaC20H16ClN5O3
Molecular Weight409.83 g/mol
Exact Mass409.09
IUPAC Name7-chloro-3-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
SMILESCc1ccc(-c2nc(-c3ncn4c3c(=O)n(C(C)C)c3cc(Cl)ccc34)no2)o1
InChIInChI=1S/C20H16ClN5O3/c1-10(2)26-14-8-12(21)5-6-13(14)25-9-22-16(17(25)20(26)27)18-23-19(29-24-18)15-7-4-11(3)28-15/h4-10H,1-3H3
InChIKeyGDNSCXPHDGBDLG-UHFFFAOYSA-N
XLogP4.50
TPSA91.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.83
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-chloro-3-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one with MolForge

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Launch Full Analysis

Related Compounds

7-fluoro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 67887189
7-chloro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one
CID 56607947
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-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-[1-(2-aminoethyl)pyrrolidin-2-yl]-7-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67889769
5-butan-2-yl-7-fluoro-3-[5-(1-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67886988
7-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 67889666
5-butan-2-yl-3-[5-(5,5-dimethyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-7-fluoroimidazo[1,5-a]quinoxalin-4-one
CID 67889460
3-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67887540
5-(7-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 67886994
6-chloro-3-[3-(1-hydroxycyclopentyl)-1,2,4-oxadiazol-5-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 67887520
5-butan-2-yl-6-fluoro-3-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67888360

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 7-chloro-3-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one (CID 67889458) is 7-chloro-3-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 7-chloro-3-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 7-chloro-3-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one is Cc1ccc(-c2nc(-c3ncn4c3c(=O)n(C(C)C)c3cc(Cl)ccc34)no2)o1.
What is the InChIKey of 7-chloro-3-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The InChIKey is GDNSCXPHDGBDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O3/c1-10(2)26-14-8-12(21)5-6-13(14)25-9-22-16(17(25)20(26)27)18-23-19(29-24-18)15-7-4-11(3)28-15/h4-10H,1-3H3.
What are the key properties of 7-chloro-3-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
7-chloro-3-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one has a molecular weight of 409.83 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 67889458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).