1H-benzo[g]quinoline-2,5,10-trione

C13H7NO3 — CID 10585276

IUPAC1H-benzo[g]quinoline-2,5,10-trione
SMILESO=C1c2ccccc2C(=O)c2[nH]c(=O)ccc21
InChIInChI=1S/C13H7NO3/c15-10-6-5-9-11(14-10)13(17)8-4-2-1-3-7(8)12(9)16/h1-6H,(H,14,15)
InChIKeyDGWMEBBWODWVMT-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.15
Rot. Bonds

About 1H-benzo[g]quinoline-2,5,10-trione

1H-benzo[g]quinoline-2,5,10-trione (PubChem CID 10585276) has the molecular formula C13H7NO3 and a molecular weight of 225.20 g/mol. Its IUPAC name is 1H-benzo[g]quinoline-2,5,10-trione.

Molecular Properties

Compound Name1H-benzo[g]quinoline-2,5,10-trione
PubChem CID10585276
Molecular FormulaC13H7NO3
Molecular Weight225.20 g/mol
Exact Mass225.04
IUPAC Name1H-benzo[g]quinoline-2,5,10-trione
SMILESO=C1c2ccccc2C(=O)c2[nH]c(=O)ccc21
InChIInChI=1S/C13H7NO3/c15-10-6-5-9-11(14-10)13(17)8-4-2-1-3-7(8)12(9)16/h1-6H,(H,14,15)
InChIKeyDGWMEBBWODWVMT-UHFFFAOYSA-N
XLogP1.15
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1H-benzo[g]quinoline-2,5,10-trione?
The IUPAC name of 1H-benzo[g]quinoline-2,5,10-trione (CID 10585276) is 1H-benzo[g]quinoline-2,5,10-trione.
What is the SMILES notation for 1H-benzo[g]quinoline-2,5,10-trione?
The canonical SMILES for 1H-benzo[g]quinoline-2,5,10-trione is O=C1c2ccccc2C(=O)c2[nH]c(=O)ccc21.
What is the InChIKey of 1H-benzo[g]quinoline-2,5,10-trione?
The InChIKey is DGWMEBBWODWVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7NO3/c15-10-6-5-9-11(14-10)13(17)8-4-2-1-3-7(8)12(9)16/h1-6H,(H,14,15).
What are the key properties of 1H-benzo[g]quinoline-2,5,10-trione?
1H-benzo[g]quinoline-2,5,10-trione has a molecular weight of 225.20 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzo[g]quinoline-2,5,10-trione is sourced from PubChem (CID 10585276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).