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

C17H13N3O3 — CID 173284648

IUPAC2-(4-methoxyphenyl)-3aH-imidazo[1,5-a]quinoxaline-1,3-dione
SMILESCOc1ccc(N2C(=O)C3C=Nc4ccccc4N3C2=O)cc1
InChIInChI=1S/C17H13N3O3/c1-23-12-8-6-11(7-9-12)19-16(21)15-10-18-13-4-2-3-5-14(13)20(15)17(19)22/h2-10,15H,1H3
InChIKeyLIDBPJHAFIAPFI-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.75
Rot. Bonds2

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

2-(4-methoxyphenyl)-3aH-imidazo[1,5-a]quinoxaline-1,3-dione (PubChem CID 173284648) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3aH-imidazo[1,5-a]quinoxaline-1,3-dione.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3aH-imidazo[1,5-a]quinoxaline-1,3-dione
PubChem CID173284648
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name2-(4-methoxyphenyl)-3aH-imidazo[1,5-a]quinoxaline-1,3-dione
SMILESCOc1ccc(N2C(=O)C3C=Nc4ccccc4N3C2=O)cc1
InChIInChI=1S/C17H13N3O3/c1-23-12-8-6-11(7-9-12)19-16(21)15-10-18-13-4-2-3-5-14(13)20(15)17(19)22/h2-10,15H,1H3
InChIKeyLIDBPJHAFIAPFI-UHFFFAOYSA-N
XLogP2.75
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.75
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)-3aH-imidazo[1,5-a]quinoxaline-1,3-dione
CID 173284470
2-phenyl-3aH-imidazo[1,5-a]quinoxaline-1,3-dione
CID 173283974
[4-(1,3-dioxo-3aH-imidazo[1,5-a]quinoxalin-5-ium-2-yl)phenyl] acetate
CID 173284641
1-(4-methoxyphenyl)-3-methyl-3,4-dihydroquinoxalin-2-one
CID 4963344
17-(4-methoxyphenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 3097565
1,3-dimethyl-3H-1,5-benzodiazepin-2-one
CID 144545698
2-(4-methoxyphenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 3577375
(3aR,4R,7R,7aR)-2-(4-methoxyphenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 129428100
2-[4-(4-methoxyphenyl)phenyl]isoindole-1,3-dione
CID 123891314
1-(4-methoxyphenyl)-3,4-dihydroquinoxalin-2-one
CID 117006508
(15S,19R)-17-[4-(4-methoxyphenoxy)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 1218205
(3aS,9bR)-2-(4-methoxyphenyl)-5-methyl-4,9b-dihydro-3aH-pyrrolo[3,4-c]quinoline-1,3-dione
CID 122227387

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3aH-imidazo[1,5-a]quinoxaline-1,3-dione?
The IUPAC name of 2-(4-methoxyphenyl)-3aH-imidazo[1,5-a]quinoxaline-1,3-dione (CID 173284648) is 2-(4-methoxyphenyl)-3aH-imidazo[1,5-a]quinoxaline-1,3-dione.
What is the SMILES notation for 2-(4-methoxyphenyl)-3aH-imidazo[1,5-a]quinoxaline-1,3-dione?
The canonical SMILES for 2-(4-methoxyphenyl)-3aH-imidazo[1,5-a]quinoxaline-1,3-dione is COc1ccc(N2C(=O)C3C=Nc4ccccc4N3C2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3aH-imidazo[1,5-a]quinoxaline-1,3-dione?
The InChIKey is LIDBPJHAFIAPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c1-23-12-8-6-11(7-9-12)19-16(21)15-10-18-13-4-2-3-5-14(13)20(15)17(19)22/h2-10,15H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-3aH-imidazo[1,5-a]quinoxaline-1,3-dione?
2-(4-methoxyphenyl)-3aH-imidazo[1,5-a]quinoxaline-1,3-dione has a molecular weight of 307.31 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3aH-imidazo[1,5-a]quinoxaline-1,3-dione is sourced from PubChem (CID 173284648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).