3-methoxy-4-methyl-1H-benzo[g]quinoline-2,5,10-trione

C15H11NO4 — CID 10445779

IUPAC3-methoxy-4-methyl-1H-benzo[g]quinoline-2,5,10-trione
SMILESCOc1c(C)c2c([nH]c1=O)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H11NO4/c1-7-10-11(16-15(19)14(7)20-2)13(18)9-6-4-3-5-8(9)12(10)17/h3-6H,1-2H3,(H,16,19)
InChIKeyAZTABGJRYQJTCL-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.47
Rot. Bonds1

About 3-methoxy-4-methyl-1H-benzo[g]quinoline-2,5,10-trione

3-methoxy-4-methyl-1H-benzo[g]quinoline-2,5,10-trione (PubChem CID 10445779) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-methoxy-4-methyl-1H-benzo[g]quinoline-2,5,10-trione.

Molecular Properties

Compound Name3-methoxy-4-methyl-1H-benzo[g]quinoline-2,5,10-trione
PubChem CID10445779
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name3-methoxy-4-methyl-1H-benzo[g]quinoline-2,5,10-trione
SMILESCOc1c(C)c2c([nH]c1=O)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H11NO4/c1-7-10-11(16-15(19)14(7)20-2)13(18)9-6-4-3-5-8(9)12(10)17/h3-6H,1-2H3,(H,16,19)
InChIKeyAZTABGJRYQJTCL-UHFFFAOYSA-N
XLogP1.47
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-1H-benzo[g]quinoline-2,5,10-trione?
The IUPAC name of 3-methoxy-4-methyl-1H-benzo[g]quinoline-2,5,10-trione (CID 10445779) is 3-methoxy-4-methyl-1H-benzo[g]quinoline-2,5,10-trione.
What is the SMILES notation for 3-methoxy-4-methyl-1H-benzo[g]quinoline-2,5,10-trione?
The canonical SMILES for 3-methoxy-4-methyl-1H-benzo[g]quinoline-2,5,10-trione is COc1c(C)c2c([nH]c1=O)C(=O)c1ccccc1C2=O.
What is the InChIKey of 3-methoxy-4-methyl-1H-benzo[g]quinoline-2,5,10-trione?
The InChIKey is AZTABGJRYQJTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c1-7-10-11(16-15(19)14(7)20-2)13(18)9-6-4-3-5-8(9)12(10)17/h3-6H,1-2H3,(H,16,19).
What are the key properties of 3-methoxy-4-methyl-1H-benzo[g]quinoline-2,5,10-trione?
3-methoxy-4-methyl-1H-benzo[g]quinoline-2,5,10-trione has a molecular weight of 269.26 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-1H-benzo[g]quinoline-2,5,10-trione is sourced from PubChem (CID 10445779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).