1-methyl-4,5,10-trioxobenzo[g]quinoline-3-carboxylic acid

C15H9NO5 — CID 11482958

IUPAC1-methyl-4,5,10-trioxobenzo[g]quinoline-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(=O)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H9NO5/c1-16-6-9(15(20)21)13(18)10-11(16)14(19)8-5-3-2-4-7(8)12(10)17/h2-6H,1H3,(H,20,21)
InChIKeyYASPURJSKUSYPW-UHFFFAOYSA-N
MW283.24 g/mol
LogP0.86
Rot. Bonds1

About 1-methyl-4,5,10-trioxobenzo[g]quinoline-3-carboxylic acid

1-methyl-4,5,10-trioxobenzo[g]quinoline-3-carboxylic acid (PubChem CID 11482958) has the molecular formula C15H9NO5 and a molecular weight of 283.24 g/mol. Its IUPAC name is 1-methyl-4,5,10-trioxobenzo[g]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4,5,10-trioxobenzo[g]quinoline-3-carboxylic acid
PubChem CID11482958
Molecular FormulaC15H9NO5
Molecular Weight283.24 g/mol
Exact Mass283.05
IUPAC Name1-methyl-4,5,10-trioxobenzo[g]quinoline-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(=O)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H9NO5/c1-16-6-9(15(20)21)13(18)10-11(16)14(19)8-5-3-2-4-7(8)12(10)17/h2-6H,1H3,(H,20,21)
InChIKeyYASPURJSKUSYPW-UHFFFAOYSA-N
XLogP0.86
TPSA93.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-methyl-4,5,10-trioxobenzo[g]quinoline-3-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

anthracene-9,10-dione;phthalic acid
CID 158904853
3-benzoyl-1,2-dimethylbenzo[f]indole-4,9-dione
CID 10711417
4-methyl-1-oxobenzo[f]quinoline-2-carboxylic acid
CID 154144865
3-acetyl-1-methylbenzo[f]indazole-4,9-dione
CID 101064119
5-(2-hydroxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid
CID 117222147
2-bromo-9-oxofluorene-4-carboxylic acid
CID 68690695
3-(1,2-dimethyl-4,9-dioxobenzo[f]indol-3-yl)propanoic acid
CID 101113104
9-oxo-1,4-diphenylfluorene-3-carboxylic acid
CID 141295557
methyl 2-(methoxymethyl)-1-methyl-4,9-dioxobenzo[f]indole-3-carboxylate
CID 10828978
1-ethyl-4-oxo-5-phenylpyridine-3-carboxylic acid
CID 12624227
5-hydroxy-4-oxo-1-propan-2-ylpyridine-3-carboxylic acid
CID 136590204
1-methylcyclopenta[b]pyridine-5-carboxylic acid
CID 122374341

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,5,10-trioxobenzo[g]quinoline-3-carboxylic acid?
The IUPAC name of 1-methyl-4,5,10-trioxobenzo[g]quinoline-3-carboxylic acid (CID 11482958) is 1-methyl-4,5,10-trioxobenzo[g]quinoline-3-carboxylic acid.
What is the SMILES notation for 1-methyl-4,5,10-trioxobenzo[g]quinoline-3-carboxylic acid?
The canonical SMILES for 1-methyl-4,5,10-trioxobenzo[g]quinoline-3-carboxylic acid is Cn1cc(C(=O)O)c(=O)c2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-methyl-4,5,10-trioxobenzo[g]quinoline-3-carboxylic acid?
The InChIKey is YASPURJSKUSYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO5/c1-16-6-9(15(20)21)13(18)10-11(16)14(19)8-5-3-2-4-7(8)12(10)17/h2-6H,1H3,(H,20,21).
What are the key properties of 1-methyl-4,5,10-trioxobenzo[g]quinoline-3-carboxylic acid?
1-methyl-4,5,10-trioxobenzo[g]quinoline-3-carboxylic acid has a molecular weight of 283.24 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,5,10-trioxobenzo[g]quinoline-3-carboxylic acid is sourced from PubChem (CID 11482958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).