6-chloro-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methylimidazo[1,5-a]quinoxalin-4-one

C16H12ClN5O2 — CID 21279703

IUPAC6-chloro-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methylimidazo[1,5-a]quinoxalin-4-one
SMILESCn1c(=O)c2c(-c3nc(C4CC4)no3)ncn2c2cccc(Cl)c21
InChIInChI=1S/C16H12ClN5O2/c1-21-12-9(17)3-2-4-10(12)22-7-18-11(13(22)16(21)23)15-19-14(20-24-15)8-5-6-8/h2-4,7-8H,5-6H2,1H3
InChIKeyXJEIMDYZJFFAQB-UHFFFAOYSA-N
MW341.76 g/mol
LogP2.77
Rot. Bonds2

About 6-chloro-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methylimidazo[1,5-a]quinoxalin-4-one

6-chloro-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methylimidazo[1,5-a]quinoxalin-4-one (PubChem CID 21279703) has the molecular formula C16H12ClN5O2 and a molecular weight of 341.76 g/mol. Its IUPAC name is 6-chloro-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methylimidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name6-chloro-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methylimidazo[1,5-a]quinoxalin-4-one
PubChem CID21279703
Molecular FormulaC16H12ClN5O2
Molecular Weight341.76 g/mol
Exact Mass341.07
IUPAC Name6-chloro-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methylimidazo[1,5-a]quinoxalin-4-one
SMILESCn1c(=O)c2c(-c3nc(C4CC4)no3)ncn2c2cccc(Cl)c21
InChIInChI=1S/C16H12ClN5O2/c1-21-12-9(17)3-2-4-10(12)22-7-18-11(13(22)16(21)23)15-19-14(20-24-15)8-5-6-8/h2-4,7-8H,5-6H2,1H3
InChIKeyXJEIMDYZJFFAQB-UHFFFAOYSA-N
XLogP2.77
TPSA78.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.76
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methylimidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 6-chloro-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methylimidazo[1,5-a]quinoxalin-4-one (CID 21279703) is 6-chloro-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methylimidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 6-chloro-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methylimidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 6-chloro-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methylimidazo[1,5-a]quinoxalin-4-one is Cn1c(=O)c2c(-c3nc(C4CC4)no3)ncn2c2cccc(Cl)c21.
What is the InChIKey of 6-chloro-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methylimidazo[1,5-a]quinoxalin-4-one?
The InChIKey is XJEIMDYZJFFAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5O2/c1-21-12-9(17)3-2-4-10(12)22-7-18-11(13(22)16(21)23)15-19-14(20-24-15)8-5-6-8/h2-4,7-8H,5-6H2,1H3.
What are the key properties of 6-chloro-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methylimidazo[1,5-a]quinoxalin-4-one?
6-chloro-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methylimidazo[1,5-a]quinoxalin-4-one has a molecular weight of 341.76 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methylimidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 21279703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).