1-phenylquinoline-2,4-dione

C15H11NO2 — CID 2146183

IUPAC1-phenylquinoline-2,4-dione
SMILESO=C1CC(=O)N(c2ccccc2)c2ccccc21
InChIInChI=1S/C15H11NO2/c17-14-10-15(18)16(11-6-2-1-3-7-11)13-9-5-4-8-12(13)14/h1-9H,10H2
InChIKeyJGYPPHHQPBWHTM-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.94
Rot. Bonds1

About 1-phenylquinoline-2,4-dione

1-phenylquinoline-2,4-dione (PubChem CID 2146183) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-phenylquinoline-2,4-dione.

Molecular Properties

Compound Name1-phenylquinoline-2,4-dione
PubChem CID2146183
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name1-phenylquinoline-2,4-dione
SMILESO=C1CC(=O)N(c2ccccc2)c2ccccc21
InChIInChI=1S/C15H11NO2/c17-14-10-15(18)16(11-6-2-1-3-7-11)13-9-5-4-8-12(13)14/h1-9H,10H2
InChIKeyJGYPPHHQPBWHTM-UHFFFAOYSA-N
XLogP2.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenylquinoline-2,4-dione?
The IUPAC name of 1-phenylquinoline-2,4-dione (CID 2146183) is 1-phenylquinoline-2,4-dione.
What is the SMILES notation for 1-phenylquinoline-2,4-dione?
The canonical SMILES for 1-phenylquinoline-2,4-dione is O=C1CC(=O)N(c2ccccc2)c2ccccc21.
What is the InChIKey of 1-phenylquinoline-2,4-dione?
The InChIKey is JGYPPHHQPBWHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c17-14-10-15(18)16(11-6-2-1-3-7-11)13-9-5-4-8-12(13)14/h1-9H,10H2.
What are the key properties of 1-phenylquinoline-2,4-dione?
1-phenylquinoline-2,4-dione has a molecular weight of 237.26 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylquinoline-2,4-dione is sourced from PubChem (CID 2146183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).