3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-(3-methylbut-2-enyl)imidazo[1,5-a]quinoxalin-4-one

C20H19N5O2 — CID 19980314

IUPAC3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-(3-methylbut-2-enyl)imidazo[1,5-a]quinoxalin-4-one
SMILESCC(C)=CCn1c(=O)c2c(-c3noc(C4CC4)n3)ncn2c2ccccc21
InChIInChI=1S/C20H19N5O2/c1-12(2)9-10-24-14-5-3-4-6-15(14)25-11-21-16(17(25)20(24)26)18-22-19(27-23-18)13-7-8-13/h3-6,9,11,13H,7-8,10H2,1-2H3
InChIKeyIETASYDEJUGIOE-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.54
Rot. Bonds4

About 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-(3-methylbut-2-enyl)imidazo[1,5-a]quinoxalin-4-one

3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-(3-methylbut-2-enyl)imidazo[1,5-a]quinoxalin-4-one (PubChem CID 19980314) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-(3-methylbut-2-enyl)imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-(3-methylbut-2-enyl)imidazo[1,5-a]quinoxalin-4-one
PubChem CID19980314
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-(3-methylbut-2-enyl)imidazo[1,5-a]quinoxalin-4-one
SMILESCC(C)=CCn1c(=O)c2c(-c3noc(C4CC4)n3)ncn2c2ccccc21
InChIInChI=1S/C20H19N5O2/c1-12(2)9-10-24-14-5-3-4-6-15(14)25-11-21-16(17(25)20(24)26)18-22-19(27-23-18)13-7-8-13/h3-6,9,11,13H,7-8,10H2,1-2H3
InChIKeyIETASYDEJUGIOE-UHFFFAOYSA-N
XLogP3.54
TPSA78.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-(3-methylbut-2-enyl)imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-(3-methylbut-2-enyl)imidazo[1,5-a]quinoxalin-4-one (CID 19980314) is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-(3-methylbut-2-enyl)imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-(3-methylbut-2-enyl)imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-(3-methylbut-2-enyl)imidazo[1,5-a]quinoxalin-4-one is CC(C)=CCn1c(=O)c2c(-c3noc(C4CC4)n3)ncn2c2ccccc21.
What is the InChIKey of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-(3-methylbut-2-enyl)imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is IETASYDEJUGIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-12(2)9-10-24-14-5-3-4-6-15(14)25-11-21-16(17(25)20(24)26)18-22-19(27-23-18)13-7-8-13/h3-6,9,11,13H,7-8,10H2,1-2H3.
What are the key properties of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-(3-methylbut-2-enyl)imidazo[1,5-a]quinoxalin-4-one?
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-(3-methylbut-2-enyl)imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 361.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-(3-methylbut-2-enyl)imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 19980314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).