[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-morpholin-4-ylmethanone

C20H20N6O3 — CID 10620523

IUPAC[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21
InChIInChI=1S/C20H20N6O3/c27-20(24-7-9-28-10-8-24)25-11-16-17(18-22-19(29-23-18)13-5-6-13)21-12-26(16)15-4-2-1-3-14(15)25/h1-4,12-13H,5-11H2
InChIKeyXBXCZBMUMQJIMN-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.57
Rot. Bonds2

About [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-morpholin-4-ylmethanone

[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-morpholin-4-ylmethanone (PubChem CID 10620523) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-morpholin-4-ylmethanone
PubChem CID10620523
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC Name[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21
InChIInChI=1S/C20H20N6O3/c27-20(24-7-9-28-10-8-24)25-11-16-17(18-22-19(29-23-18)13-5-6-13)21-12-26(16)15-4-2-1-3-14(15)25/h1-4,12-13H,5-11H2
InChIKeyXBXCZBMUMQJIMN-UHFFFAOYSA-N
XLogP2.57
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-morpholin-4-ylmethanone (CID 10620523) is [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21.
What is the InChIKey of [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-morpholin-4-ylmethanone?
The InChIKey is XBXCZBMUMQJIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c27-20(24-7-9-28-10-8-24)25-11-16-17(18-22-19(29-23-18)13-5-6-13)21-12-26(16)15-4-2-1-3-14(15)25/h1-4,12-13H,5-11H2.
What are the key properties of [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-morpholin-4-ylmethanone?
[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-morpholin-4-ylmethanone has a molecular weight of 392.42 g/mol, XLogP of 2.57, 2 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)-4H-imidazo[1,5-a]quinoxalin-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 10620523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).