2-(4-ethoxyphenyl)-3aH-imidazo[1,5-a]quinoxaline-1,3-dione

C18H15N3O3 — CID 173284470

IUPAC2-(4-ethoxyphenyl)-3aH-imidazo[1,5-a]quinoxaline-1,3-dione
SMILESCCOc1ccc(N2C(=O)C3C=Nc4ccccc4N3C2=O)cc1
InChIInChI=1S/C18H15N3O3/c1-2-24-13-9-7-12(8-10-13)20-17(22)16-11-19-14-5-3-4-6-15(14)21(16)18(20)23/h3-11,16H,2H2,1H3
InChIKeyUWTBHAOCEJNOMN-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.14
Rot. Bonds3

About 2-(4-ethoxyphenyl)-3aH-imidazo[1,5-a]quinoxaline-1,3-dione

2-(4-ethoxyphenyl)-3aH-imidazo[1,5-a]quinoxaline-1,3-dione (PubChem CID 173284470) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-3aH-imidazo[1,5-a]quinoxaline-1,3-dione.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-3aH-imidazo[1,5-a]quinoxaline-1,3-dione
PubChem CID173284470
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name2-(4-ethoxyphenyl)-3aH-imidazo[1,5-a]quinoxaline-1,3-dione
SMILESCCOc1ccc(N2C(=O)C3C=Nc4ccccc4N3C2=O)cc1
InChIInChI=1S/C18H15N3O3/c1-2-24-13-9-7-12(8-10-13)20-17(22)16-11-19-14-5-3-4-6-15(14)21(16)18(20)23/h3-11,16H,2H2,1H3
InChIKeyUWTBHAOCEJNOMN-UHFFFAOYSA-N
XLogP3.14
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxyphenyl)-4-propylimino-3a,5-dihydroimidazo[1,5-a]quinoxaline-1,3-dione
CID 173284644
(3aR,4S,7R,7aR)-2-(4-ethoxyphenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 98171061
(3aR,7aR)-2-(4-ethoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 872279
2-(4-ethoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 2853944
(3aS,7aR)-2-(4-ethoxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7032574
[(3R,4R)-4-benzoyloxy-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl] benzoate
CID 126299270
[4-(1,3-dioxo-3aH-imidazo[1,5-a]quinoxalin-5-ium-2-yl)phenyl] acetate
CID 173284641
(3aS,6aR)-1-(4-ethoxyphenyl)-3-(2-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
CID 1264584
[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7198359
(5Z)-5-(dimethylaminomethylidene)-1-(4-ethoxyphenyl)-3-ethylimidazolidine-2,4-dione
CID 20526811
(1R,2S,6R,7S)-4-(4-ethoxyphenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 11880247
6-(4-ethoxyphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 14368511

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-3aH-imidazo[1,5-a]quinoxaline-1,3-dione?
The IUPAC name of 2-(4-ethoxyphenyl)-3aH-imidazo[1,5-a]quinoxaline-1,3-dione (CID 173284470) is 2-(4-ethoxyphenyl)-3aH-imidazo[1,5-a]quinoxaline-1,3-dione.
What is the SMILES notation for 2-(4-ethoxyphenyl)-3aH-imidazo[1,5-a]quinoxaline-1,3-dione?
The canonical SMILES for 2-(4-ethoxyphenyl)-3aH-imidazo[1,5-a]quinoxaline-1,3-dione is CCOc1ccc(N2C(=O)C3C=Nc4ccccc4N3C2=O)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-3aH-imidazo[1,5-a]quinoxaline-1,3-dione?
The InChIKey is UWTBHAOCEJNOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-2-24-13-9-7-12(8-10-13)20-17(22)16-11-19-14-5-3-4-6-15(14)21(16)18(20)23/h3-11,16H,2H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-3aH-imidazo[1,5-a]quinoxaline-1,3-dione?
2-(4-ethoxyphenyl)-3aH-imidazo[1,5-a]quinoxaline-1,3-dione has a molecular weight of 321.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-3aH-imidazo[1,5-a]quinoxaline-1,3-dione is sourced from PubChem (CID 173284470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).