4-phenylquinoline-5,8-dione

C15H9NO2 — CID 10799743

IUPAC4-phenylquinoline-5,8-dione
SMILESO=C1C=CC(=O)c2c(-c3ccccc3)ccnc21
InChIInChI=1S/C15H9NO2/c17-12-6-7-13(18)15-14(12)11(8-9-16-15)10-4-2-1-3-5-10/h1-9H
InChIKeyCLXSIGUKIDGZFB-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.68
Rot. Bonds1

About 4-phenylquinoline-5,8-dione

4-phenylquinoline-5,8-dione (PubChem CID 10799743) has the molecular formula C15H9NO2 and a molecular weight of 235.24 g/mol. Its IUPAC name is 4-phenylquinoline-5,8-dione.

Molecular Properties

Compound Name4-phenylquinoline-5,8-dione
PubChem CID10799743
Molecular FormulaC15H9NO2
Molecular Weight235.24 g/mol
Exact Mass235.06
IUPAC Name4-phenylquinoline-5,8-dione
SMILESO=C1C=CC(=O)c2c(-c3ccccc3)ccnc21
InChIInChI=1S/C15H9NO2/c17-12-6-7-13(18)15-14(12)11(8-9-16-15)10-4-2-1-3-5-10/h1-9H
InChIKeyCLXSIGUKIDGZFB-UHFFFAOYSA-N
XLogP2.68
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 4-phenylquinoline-5,8-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-phenylquinoline-5,8-dione?
The IUPAC name of 4-phenylquinoline-5,8-dione (CID 10799743) is 4-phenylquinoline-5,8-dione.
What is the SMILES notation for 4-phenylquinoline-5,8-dione?
The canonical SMILES for 4-phenylquinoline-5,8-dione is O=C1C=CC(=O)c2c(-c3ccccc3)ccnc21.
What is the InChIKey of 4-phenylquinoline-5,8-dione?
The InChIKey is CLXSIGUKIDGZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO2/c17-12-6-7-13(18)15-14(12)11(8-9-16-15)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 4-phenylquinoline-5,8-dione?
4-phenylquinoline-5,8-dione has a molecular weight of 235.24 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylquinoline-5,8-dione is sourced from PubChem (CID 10799743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).