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

C16H12N2O3 — CID 12805925

IUPAC8-(4-methoxyanilino)quinoline-5,6-dione
SMILESCOc1ccc(NC2=CC(=O)C(=O)c3cccnc32)cc1
InChIInChI=1S/C16H12N2O3/c1-21-11-6-4-10(5-7-11)18-13-9-14(19)16(20)12-3-2-8-17-15(12)13/h2-9,18H,1H3
InChIKeyIDEMWNQEXDYJPI-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.31
Rot. Bonds3

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

8-(4-methoxyanilino)quinoline-5,6-dione (PubChem CID 12805925) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 8-(4-methoxyanilino)quinoline-5,6-dione.

Molecular Properties

Compound Name8-(4-methoxyanilino)quinoline-5,6-dione
PubChem CID12805925
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name8-(4-methoxyanilino)quinoline-5,6-dione
SMILESCOc1ccc(NC2=CC(=O)C(=O)c3cccnc32)cc1
InChIInChI=1S/C16H12N2O3/c1-21-11-6-4-10(5-7-11)18-13-9-14(19)16(20)12-3-2-8-17-15(12)13/h2-9,18H,1H3
InChIKeyIDEMWNQEXDYJPI-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyanilino)quinoline-5,6-dione?
The IUPAC name of 8-(4-methoxyanilino)quinoline-5,6-dione (CID 12805925) is 8-(4-methoxyanilino)quinoline-5,6-dione.
What is the SMILES notation for 8-(4-methoxyanilino)quinoline-5,6-dione?
The canonical SMILES for 8-(4-methoxyanilino)quinoline-5,6-dione is COc1ccc(NC2=CC(=O)C(=O)c3cccnc32)cc1.
What is the InChIKey of 8-(4-methoxyanilino)quinoline-5,6-dione?
The InChIKey is IDEMWNQEXDYJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-21-11-6-4-10(5-7-11)18-13-9-14(19)16(20)12-3-2-8-17-15(12)13/h2-9,18H,1H3.
What are the key properties of 8-(4-methoxyanilino)quinoline-5,6-dione?
8-(4-methoxyanilino)quinoline-5,6-dione has a molecular weight of 280.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyanilino)quinoline-5,6-dione is sourced from PubChem (CID 12805925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).