disodium;2-carboxy-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-7,9-dicarboxylate

C14H4N2Na2O8 — CID 3078772

IUPACdisodium;2-carboxy-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-7,9-dicarboxylate
SMILESO=C([O-])c1cc(C(=O)[O-])c2c(n1)C(=O)C(=O)c1cc(C(=O)O)[nH]c1-2.[Na+].[Na+]
InChIInChI=1S/C14H6N2O8.2Na/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18;;/h1-2,15H,(H,19,20)(H,21,22)(H,23,24);;/q;2*+1/p-2
InChIKeyUFVBOGYDCJNLPM-UHFFFAOYSA-L
MW374.17 g/mol
LogP-8.11
Rot. Bonds3

About disodium;2-carboxy-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-7,9-dicarboxylate

disodium;2-carboxy-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-7,9-dicarboxylate (PubChem CID 3078772) has the molecular formula C14H4N2Na2O8 and a molecular weight of 374.17 g/mol. Its IUPAC name is disodium;2-carboxy-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-7,9-dicarboxylate.

Molecular Properties

Compound Namedisodium;2-carboxy-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-7,9-dicarboxylate
PubChem CID3078772
Molecular FormulaC14H4N2Na2O8
Molecular Weight374.17 g/mol
Exact Mass373.98
IUPAC Namedisodium;2-carboxy-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-7,9-dicarboxylate
SMILESO=C([O-])c1cc(C(=O)[O-])c2c(n1)C(=O)C(=O)c1cc(C(=O)O)[nH]c1-2.[Na+].[Na+]
InChIInChI=1S/C14H6N2O8.2Na/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18;;/h1-2,15H,(H,19,20)(H,21,22)(H,23,24);;/q;2*+1/p-2
InChIKeyUFVBOGYDCJNLPM-UHFFFAOYSA-L
XLogP-8.11
TPSA180.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.17
LogP ≤ 5-8.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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'}

Analyze disodium;2-carboxy-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-7,9-dicarboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of disodium;2-carboxy-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-7,9-dicarboxylate?
The IUPAC name of disodium;2-carboxy-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-7,9-dicarboxylate (CID 3078772) is disodium;2-carboxy-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-7,9-dicarboxylate.
What is the SMILES notation for disodium;2-carboxy-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-7,9-dicarboxylate?
The canonical SMILES for disodium;2-carboxy-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-7,9-dicarboxylate is O=C([O-])c1cc(C(=O)[O-])c2c(n1)C(=O)C(=O)c1cc(C(=O)O)[nH]c1-2.[Na+].[Na+].
What is the InChIKey of disodium;2-carboxy-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-7,9-dicarboxylate?
The InChIKey is UFVBOGYDCJNLPM-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H6N2O8.2Na/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18;;/h1-2,15H,(H,19,20)(H,21,22)(H,23,24);;/q;2*+1/p-2.
What are the key properties of disodium;2-carboxy-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-7,9-dicarboxylate?
disodium;2-carboxy-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-7,9-dicarboxylate has a molecular weight of 374.17 g/mol, XLogP of -8.11, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-carboxy-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-7,9-dicarboxylate is sourced from PubChem (CID 3078772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).