6-(4-methoxyanilino)quinoline-5,8-dione

C16H12N2O3 — CID 13370933

IUPAC6-(4-methoxyanilino)quinoline-5,8-dione
SMILESCOc1ccc(NC2=CC(=O)c3ncccc3C2=O)cc1
InChIInChI=1S/C16H12N2O3/c1-21-11-6-4-10(5-7-11)18-13-9-14(19)15-12(16(13)20)3-2-8-17-15/h2-9,18H,1H3
InChIKeyNQMJRJCTPCXYSG-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.47
Rot. Bonds3

About 6-(4-methoxyanilino)quinoline-5,8-dione

6-(4-methoxyanilino)quinoline-5,8-dione (PubChem CID 13370933) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 6-(4-methoxyanilino)quinoline-5,8-dione.

Molecular Properties

Compound Name6-(4-methoxyanilino)quinoline-5,8-dione
PubChem CID13370933
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name6-(4-methoxyanilino)quinoline-5,8-dione
SMILESCOc1ccc(NC2=CC(=O)c3ncccc3C2=O)cc1
InChIInChI=1S/C16H12N2O3/c1-21-11-6-4-10(5-7-11)18-13-9-14(19)15-12(16(13)20)3-2-8-17-15/h2-9,18H,1H3
InChIKeyNQMJRJCTPCXYSG-UHFFFAOYSA-N
XLogP2.47
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(4-methoxyanilino)quinoline-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 6-(4-methoxyanilino)quinoline-5,8-dione?
The IUPAC name of 6-(4-methoxyanilino)quinoline-5,8-dione (CID 13370933) is 6-(4-methoxyanilino)quinoline-5,8-dione.
What is the SMILES notation for 6-(4-methoxyanilino)quinoline-5,8-dione?
The canonical SMILES for 6-(4-methoxyanilino)quinoline-5,8-dione is COc1ccc(NC2=CC(=O)c3ncccc3C2=O)cc1.
What is the InChIKey of 6-(4-methoxyanilino)quinoline-5,8-dione?
The InChIKey is NQMJRJCTPCXYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-21-11-6-4-10(5-7-11)18-13-9-14(19)15-12(16(13)20)3-2-8-17-15/h2-9,18H,1H3.
What are the key properties of 6-(4-methoxyanilino)quinoline-5,8-dione?
6-(4-methoxyanilino)quinoline-5,8-dione has a molecular weight of 280.28 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyanilino)quinoline-5,8-dione is sourced from PubChem (CID 13370933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).