2-phenylimidazo[1,5-a]quinoxalin-10-ium-1,3-dione

C16H10N3O2+ — CID 56612331

IUPAC2-phenylimidazo[1,5-a]quinoxalin-10-ium-1,3-dione
SMILESO=C1c2cnc3ccccc3[n+]2C(=O)N1c1ccccc1
InChIInChI=1S/C16H10N3O2/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/h1-10H/q+1
InChIKeyJBXBNHAQJXGSFK-UHFFFAOYSA-N
MW276.28 g/mol
LogP2.15
Rot. Bonds1

About 2-phenylimidazo[1,5-a]quinoxalin-10-ium-1,3-dione

2-phenylimidazo[1,5-a]quinoxalin-10-ium-1,3-dione (PubChem CID 56612331) has the molecular formula C16H10N3O2+ and a molecular weight of 276.28 g/mol. Its IUPAC name is 2-phenylimidazo[1,5-a]quinoxalin-10-ium-1,3-dione.

Molecular Properties

Compound Name2-phenylimidazo[1,5-a]quinoxalin-10-ium-1,3-dione
PubChem CID56612331
Molecular FormulaC16H10N3O2+
Molecular Weight276.28 g/mol
Exact Mass276.08
IUPAC Name2-phenylimidazo[1,5-a]quinoxalin-10-ium-1,3-dione
SMILESO=C1c2cnc3ccccc3[n+]2C(=O)N1c1ccccc1
InChIInChI=1S/C16H10N3O2/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/h1-10H/q+1
InChIKeyJBXBNHAQJXGSFK-UHFFFAOYSA-N
XLogP2.15
TPSA54.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_het_A(9)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-propan-2-yloxyphenyl)imidazo[1,5-a]quinoxalin-10-ium-1,3-dione
CID 56620844
2-(2-methoxyphenyl)imidazo[1,5-a]quinoxalin-10-ium-1,3-dione
CID 56620073
2-(4-ethoxyphenyl)-5-methylimidazo[1,5-a]quinoxaline-5,10-diium-1,3-dione
CID 56622718
1-phenyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one
CID 57148006
4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-10-ium-1,5-dione
CID 78210382
3,4-difluoro-1-phenylpyrrole-2,5-dione
CID 13059269
1,3-diphenyl-1,3-diazinane-2,4,5,6-tetrone
CID 22323521
2-(4-methylphenyl)-1-oxidoquinoxalin-1-ium
CID 59738563
methane;1-phenylpyrrole-2,5-dione
CID 174935875
1,5-diphenyl-1,5-diazocane-2,4,6,8-tetrone
CID 155228922
1-quinolin-3-ylpyrrole-2,5-dione
CID 62783124
6-amino-1-phenylquinoxalin-2-one
CID 90152808

Frequently Asked Questions

What is the IUPAC name of 2-phenylimidazo[1,5-a]quinoxalin-10-ium-1,3-dione?
The IUPAC name of 2-phenylimidazo[1,5-a]quinoxalin-10-ium-1,3-dione (CID 56612331) is 2-phenylimidazo[1,5-a]quinoxalin-10-ium-1,3-dione.
What is the SMILES notation for 2-phenylimidazo[1,5-a]quinoxalin-10-ium-1,3-dione?
The canonical SMILES for 2-phenylimidazo[1,5-a]quinoxalin-10-ium-1,3-dione is O=C1c2cnc3ccccc3[n+]2C(=O)N1c1ccccc1.
What is the InChIKey of 2-phenylimidazo[1,5-a]quinoxalin-10-ium-1,3-dione?
The InChIKey is JBXBNHAQJXGSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N3O2/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/h1-10H/q+1.
What are the key properties of 2-phenylimidazo[1,5-a]quinoxalin-10-ium-1,3-dione?
2-phenylimidazo[1,5-a]quinoxalin-10-ium-1,3-dione has a molecular weight of 276.28 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylimidazo[1,5-a]quinoxalin-10-ium-1,3-dione is sourced from PubChem (CID 56612331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).