sodium;hydride;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylate;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylic acid

C26H14N2NaO10- — CID 162207087

IUPACsodium;hydride;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylate;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylic acid
SMILESCc1oc2c(c1C(=O)O)C(=O)c1ncccc1C2=O.Cc1oc2c(c1C(=O)[O-])C(=O)c1ncccc1C2=O.[H-].[Na+]
InChIInChI=1S/2C13H7NO5.Na.H/c2*1-5-7(13(17)18)8-11(16)9-6(3-2-4-14-9)10(15)12(8)19-5;;/h2*2-4H,1H3,(H,17,18);;/q;;+1;-1/p-1
InChIKeyOJEODUKQTRIFLJ-UHFFFAOYSA-M
MW537.39 g/mol
LogP-1.30
Rot. Bonds2

About sodium;hydride;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylate;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylic acid

sodium;hydride;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylate;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylic acid (PubChem CID 162207087) has the molecular formula C26H14N2NaO10- and a molecular weight of 537.39 g/mol. Its IUPAC name is sodium;hydride;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylate;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylic acid.

Molecular Properties

Compound Namesodium;hydride;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylate;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylic acid
PubChem CID162207087
Molecular FormulaC26H14N2NaO10-
Molecular Weight537.39 g/mol
Exact Mass537.06
IUPAC Namesodium;hydride;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylate;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylic acid
SMILESCc1oc2c(c1C(=O)O)C(=O)c1ncccc1C2=O.Cc1oc2c(c1C(=O)[O-])C(=O)c1ncccc1C2=O.[H-].[Na+]
InChIInChI=1S/2C13H7NO5.Na.H/c2*1-5-7(13(17)18)8-11(16)9-6(3-2-4-14-9)10(15)12(8)19-5;;/h2*2-4H,1H3,(H,17,18);;/q;;+1;-1/p-1
InChIKeyOJEODUKQTRIFLJ-UHFFFAOYSA-M
XLogP-1.30
TPSA197.77 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.39
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze sodium;hydride;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylate;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylic acid with MolForge

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Related Compounds

2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylic acid
CID 121472574
ethyl 2-methyl-4,9-dioxofuro[3,2-g]quinoline-3-carboxylate
CID 14895315
bis((2-methylphenyl) 2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylate);bis((3-methylphenyl) 2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylate);phenyl 2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylate
CID 157232925
3-[4-(dimethylamino)pyridin-1-ium-1-yl]propyl 2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylate
CID 121478324
2-benzoylfuro[3,2-g]quinoline-4,9-dione
CID 142308028
2-(1-hydroxyethyl)-2-methyl-4,9-dioxo-3H-furo[2,3-g]quinoline-3-carboxylic acid
CID 121472572
2-methyl-3-(morpholine-4-carbonyl)benzo[f][1]benzofuran-4,9-dione
CID 1382504
2-methyl-4,9-dioxo-N-(pyridin-4-ylmethyl)benzo[f][1]benzofuran-3-carboxamide
CID 18833832
N-cyclopentyl-2-methyl-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide
CID 2142312
4,7-phenanthroline-5,6-dione
CID 6764
2-methyl-[1,3]oxazolo[4,5-f]quinoline-4,5-dione
CID 118219007
phenanthro[9,10-g]quinoline-9,14-dione
CID 71437214

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylate;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylic acid?
The IUPAC name of sodium;hydride;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylate;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylic acid (CID 162207087) is sodium;hydride;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylate;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylic acid.
What is the SMILES notation for sodium;hydride;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylate;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylic acid?
The canonical SMILES for sodium;hydride;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylate;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylic acid is Cc1oc2c(c1C(=O)O)C(=O)c1ncccc1C2=O.Cc1oc2c(c1C(=O)[O-])C(=O)c1ncccc1C2=O.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylate;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylic acid?
The InChIKey is OJEODUKQTRIFLJ-UHFFFAOYSA-M. The full InChI is InChI=1S/2C13H7NO5.Na.H/c2*1-5-7(13(17)18)8-11(16)9-6(3-2-4-14-9)10(15)12(8)19-5;;/h2*2-4H,1H3,(H,17,18);;/q;;+1;-1/p-1.
What are the key properties of sodium;hydride;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylate;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylic acid?
sodium;hydride;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylate;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylic acid has a molecular weight of 537.39 g/mol, XLogP of -1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylate;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylic acid is sourced from PubChem (CID 162207087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).