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

C14H4N2Na2O8 — CID 91864988

IUPACdisodium;4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate;hydron
SMILESO=C([O-])c1cc(C(=O)[O-])c2c(n1)C(=O)C(=O)c1cc(C(=O)[O-])[nH]c1-2.[H+].[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-9.33
Rot. Bonds3

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

disodium;4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate;hydron (PubChem CID 91864988) has the molecular formula C14H4N2Na2O8 and a molecular weight of 374.17 g/mol. Its IUPAC name is disodium;4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate;hydron.

Molecular Properties

Compound Namedisodium;4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate;hydron
PubChem CID91864988
Molecular FormulaC14H4N2Na2O8
Molecular Weight374.17 g/mol
Exact Mass373.98
IUPAC Namedisodium;4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate;hydron
SMILESO=C([O-])c1cc(C(=O)[O-])c2c(n1)C(=O)C(=O)c1cc(C(=O)[O-])[nH]c1-2.[H+].[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-9.33
TPSA183.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.17
LogP ≤ 5-9.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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'}

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Frequently Asked Questions

What is the IUPAC name of disodium;4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate;hydron?
The IUPAC name of disodium;4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate;hydron (CID 91864988) is disodium;4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate;hydron.
What is the SMILES notation for disodium;4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate;hydron?
The canonical SMILES for disodium;4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate;hydron is O=C([O-])c1cc(C(=O)[O-])c2c(n1)C(=O)C(=O)c1cc(C(=O)[O-])[nH]c1-2.[H+].[Na+].[Na+].
What is the InChIKey of disodium;4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate;hydron?
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;4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate;hydron?
disodium;4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate;hydron has a molecular weight of 374.17 g/mol, XLogP of -9.33, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate;hydron is sourced from PubChem (CID 91864988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).