2-(4-propan-2-yloxyphenyl)imidazo[1,5-a]quinoxalin-10-ium-1,3-dione

C19H16N3O3+ — CID 56620844

IUPAC2-(4-propan-2-yloxyphenyl)imidazo[1,5-a]quinoxalin-10-ium-1,3-dione
SMILESCC(C)Oc1ccc(N2C(=O)c3cnc4ccccc4[n+]3C2=O)cc1
InChIInChI=1S/C19H16N3O3/c1-12(2)25-14-9-7-13(8-10-14)21-18(23)17-11-20-15-5-3-4-6-16(15)22(17)19(21)24/h3-12H,1-2H3/q+1
InChIKeySFEZEYSMXZETJF-UHFFFAOYSA-N
MW334.36 g/mol
LogP2.94
Rot. Bonds3

About 2-(4-propan-2-yloxyphenyl)imidazo[1,5-a]quinoxalin-10-ium-1,3-dione

2-(4-propan-2-yloxyphenyl)imidazo[1,5-a]quinoxalin-10-ium-1,3-dione (PubChem CID 56620844) has the molecular formula C19H16N3O3+ and a molecular weight of 334.36 g/mol. Its IUPAC name is 2-(4-propan-2-yloxyphenyl)imidazo[1,5-a]quinoxalin-10-ium-1,3-dione.

Molecular Properties

Compound Name2-(4-propan-2-yloxyphenyl)imidazo[1,5-a]quinoxalin-10-ium-1,3-dione
PubChem CID56620844
Molecular FormulaC19H16N3O3+
Molecular Weight334.36 g/mol
Exact Mass334.12
IUPAC Name2-(4-propan-2-yloxyphenyl)imidazo[1,5-a]quinoxalin-10-ium-1,3-dione
SMILESCC(C)Oc1ccc(N2C(=O)c3cnc4ccccc4[n+]3C2=O)cc1
InChIInChI=1S/C19H16N3O3/c1-12(2)25-14-9-7-13(8-10-14)21-18(23)17-11-20-15-5-3-4-6-16(15)22(17)19(21)24/h3-12H,1-2H3/q+1
InChIKeySFEZEYSMXZETJF-UHFFFAOYSA-N
XLogP2.94
TPSA63.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yloxyphenyl)imidazo[1,5-a]quinoxalin-10-ium-1,3-dione?
The IUPAC name of 2-(4-propan-2-yloxyphenyl)imidazo[1,5-a]quinoxalin-10-ium-1,3-dione (CID 56620844) is 2-(4-propan-2-yloxyphenyl)imidazo[1,5-a]quinoxalin-10-ium-1,3-dione.
What is the SMILES notation for 2-(4-propan-2-yloxyphenyl)imidazo[1,5-a]quinoxalin-10-ium-1,3-dione?
The canonical SMILES for 2-(4-propan-2-yloxyphenyl)imidazo[1,5-a]quinoxalin-10-ium-1,3-dione is CC(C)Oc1ccc(N2C(=O)c3cnc4ccccc4[n+]3C2=O)cc1.
What is the InChIKey of 2-(4-propan-2-yloxyphenyl)imidazo[1,5-a]quinoxalin-10-ium-1,3-dione?
The InChIKey is SFEZEYSMXZETJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N3O3/c1-12(2)25-14-9-7-13(8-10-14)21-18(23)17-11-20-15-5-3-4-6-16(15)22(17)19(21)24/h3-12H,1-2H3/q+1.
What are the key properties of 2-(4-propan-2-yloxyphenyl)imidazo[1,5-a]quinoxalin-10-ium-1,3-dione?
2-(4-propan-2-yloxyphenyl)imidazo[1,5-a]quinoxalin-10-ium-1,3-dione has a molecular weight of 334.36 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxyphenyl)imidazo[1,5-a]quinoxalin-10-ium-1,3-dione is sourced from PubChem (CID 56620844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).