2-phenyl-3aH-imidazo[1,5-a]quinoxaline-1,3-dione

C16H11N3O2 — CID 173283974

IUPAC2-phenyl-3aH-imidazo[1,5-a]quinoxaline-1,3-dione
SMILESO=C1C2C=Nc3ccccc3N2C(=O)N1c1ccccc1
InChIInChI=1S/C16H11N3O2/c20-15-14-10-17-12-8-4-5-9-13(12)19(14)16(21)18(15)11-6-2-1-3-7-11/h1-10,14H
InChIKeyJFNDKOULQDWSKY-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.74
Rot. Bonds1

About 2-phenyl-3aH-imidazo[1,5-a]quinoxaline-1,3-dione

2-phenyl-3aH-imidazo[1,5-a]quinoxaline-1,3-dione (PubChem CID 173283974) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-phenyl-3aH-imidazo[1,5-a]quinoxaline-1,3-dione.

Molecular Properties

Compound Name2-phenyl-3aH-imidazo[1,5-a]quinoxaline-1,3-dione
PubChem CID173283974
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name2-phenyl-3aH-imidazo[1,5-a]quinoxaline-1,3-dione
SMILESO=C1C2C=Nc3ccccc3N2C(=O)N1c1ccccc1
InChIInChI=1S/C16H11N3O2/c20-15-14-10-17-12-8-4-5-9-13(12)19(14)16(21)18(15)11-6-2-1-3-7-11/h1-10,14H
InChIKeyJFNDKOULQDWSKY-UHFFFAOYSA-N
XLogP2.74
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-3aH-imidazo[1,5-a]quinoxaline-1,3-dione
CID 173284648
2-(4-ethoxyphenyl)-3aH-imidazo[1,5-a]quinoxaline-1,3-dione
CID 173284470
(5S)-1,3,5-triphenylimidazolidine-2,4-dione
CID 154708380
1,3-dimethyl-3H-1,5-benzodiazepin-2-one
CID 144545698
2,4,6-trioxo-1,3-diphenyl-1,3-diazinane-5-carbaldehyde
CID 2784820
(5S)-3-(4-chlorophenyl)-5-methyl-1-phenylimidazolidine-2,4-dione
CID 154708544
[4-(1,3-dioxo-3aH-imidazo[1,5-a]quinoxalin-5-ium-2-yl)phenyl] acetate
CID 173284641
(3R)-3-methyl-1-phenyl-3H-indol-2-one
CID 6951281
3-chloro-1-phenyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 19920996
16-phenyl-16-azatetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene-15,17-dione
CID 102335192
1-cyclohexyl-5-ethyl-3-phenyl-1,3-diazinane-2,4,6-trione
CID 13968
(5S)-3-phenyl-1-propanoyl-5-propan-2-ylimidazolidine-2,4-dione
CID 102306788

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3aH-imidazo[1,5-a]quinoxaline-1,3-dione?
The IUPAC name of 2-phenyl-3aH-imidazo[1,5-a]quinoxaline-1,3-dione (CID 173283974) is 2-phenyl-3aH-imidazo[1,5-a]quinoxaline-1,3-dione.
What is the SMILES notation for 2-phenyl-3aH-imidazo[1,5-a]quinoxaline-1,3-dione?
The canonical SMILES for 2-phenyl-3aH-imidazo[1,5-a]quinoxaline-1,3-dione is O=C1C2C=Nc3ccccc3N2C(=O)N1c1ccccc1.
What is the InChIKey of 2-phenyl-3aH-imidazo[1,5-a]quinoxaline-1,3-dione?
The InChIKey is JFNDKOULQDWSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c20-15-14-10-17-12-8-4-5-9-13(12)19(14)16(21)18(15)11-6-2-1-3-7-11/h1-10,14H.
What are the key properties of 2-phenyl-3aH-imidazo[1,5-a]quinoxaline-1,3-dione?
2-phenyl-3aH-imidazo[1,5-a]quinoxaline-1,3-dione has a molecular weight of 277.28 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3aH-imidazo[1,5-a]quinoxaline-1,3-dione is sourced from PubChem (CID 173283974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).