1-phenylimidazo[1,2-a]quinoline-4,5-dione

C17H10N2O2 — CID 162734807

IUPAC1-phenylimidazo[1,2-a]quinoline-4,5-dione
SMILESO=C1C(=O)c2ncc(-c3ccccc3)n2-c2ccccc21
InChIInChI=1S/C17H10N2O2/c20-15-12-8-4-5-9-13(12)19-14(10-18-17(19)16(15)21)11-6-2-1-3-7-11/h1-10H
InChIKeyUNFFQYXMMBBJPM-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.92
Rot. Bonds1

About 1-phenylimidazo[1,2-a]quinoline-4,5-dione

1-phenylimidazo[1,2-a]quinoline-4,5-dione (PubChem CID 162734807) has the molecular formula C17H10N2O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-phenylimidazo[1,2-a]quinoline-4,5-dione.

Molecular Properties

Compound Name1-phenylimidazo[1,2-a]quinoline-4,5-dione
PubChem CID162734807
Molecular FormulaC17H10N2O2
Molecular Weight274.28 g/mol
Exact Mass274.07
IUPAC Name1-phenylimidazo[1,2-a]quinoline-4,5-dione
SMILESO=C1C(=O)c2ncc(-c3ccccc3)n2-c2ccccc21
InChIInChI=1S/C17H10N2O2/c20-15-12-8-4-5-9-13(12)19-14(10-18-17(19)16(15)21)11-6-2-1-3-7-11/h1-10H
InChIKeyUNFFQYXMMBBJPM-UHFFFAOYSA-N
XLogP2.92
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenylimidazo[1,2-a]quinoline-4,5-dione?
The IUPAC name of 1-phenylimidazo[1,2-a]quinoline-4,5-dione (CID 162734807) is 1-phenylimidazo[1,2-a]quinoline-4,5-dione.
What is the SMILES notation for 1-phenylimidazo[1,2-a]quinoline-4,5-dione?
The canonical SMILES for 1-phenylimidazo[1,2-a]quinoline-4,5-dione is O=C1C(=O)c2ncc(-c3ccccc3)n2-c2ccccc21.
What is the InChIKey of 1-phenylimidazo[1,2-a]quinoline-4,5-dione?
The InChIKey is UNFFQYXMMBBJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O2/c20-15-12-8-4-5-9-13(12)19-14(10-18-17(19)16(15)21)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 1-phenylimidazo[1,2-a]quinoline-4,5-dione?
1-phenylimidazo[1,2-a]quinoline-4,5-dione has a molecular weight of 274.28 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylimidazo[1,2-a]quinoline-4,5-dione is sourced from PubChem (CID 162734807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).