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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Related Compounds

3-phenyl-2,5,13,15-tetrazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaene
CID 67503423
4-(2-phenylphenyl)-1,2,4-triazole-3,5-dione
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4-(2-phenylphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 62898416
3-[3,5-bis(2-methylpropyl)phenyl]-5-phenyl-4-(2-phenylphenyl)-1,2,4-triazole
CID 131982385
[1-[4-(2,5,13,15-tetrazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]cyclobutyl]carbamic acid
CID 67504236
3-methyl-7-phenylpyrrolo[1,2-c]imidazol-5-one
CID 23660960
1-(2-phenylphenyl)imidazolidine-2,4,5-trione
CID 43153855
2-methylimidazo[1,2-a]indol-4-one
CID 174737851
1-[2,4-diamino-5-[2-oxo-3-(2-phenylphenyl)benzimidazol-1-yl]phenyl]-3-(2-phenylphenyl)benzimidazol-2-one
CID 129187596
1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine
CID 12802022
1-(1-methyl-5-phenylimidazol-2-yl)ethanone
CID 83383482
1,2,6-triphenylpyridin-4-one
CID 13088641

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).