2,7-dicarboxy-4,5-dioxido-6H-pyrrolo[2,3-f]quinoline-9-carboxylate

C14H5N2O8-3 — CID 135956777

IUPAC2,7-dicarboxy-4,5-dioxido-6H-pyrrolo[2,3-f]quinoline-9-carboxylate
SMILESO=C(O)c1cc2c([O-])c([O-])c3[nH]c(C(=O)O)cc(C(=O)[O-])c3c2n1
InChIInChI=1S/C14H8N2O8/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/h1-2,16-18H,(H,19,20)(H,21,22)(H,23,24)/p-3
InChIKeyQKZCLDGSTDNTDJ-UHFFFAOYSA-K
MW329.20 g/mol
LogP-1.38
Rot. Bonds3

About 2,7-dicarboxy-4,5-dioxido-6H-pyrrolo[2,3-f]quinoline-9-carboxylate

2,7-dicarboxy-4,5-dioxido-6H-pyrrolo[2,3-f]quinoline-9-carboxylate (PubChem CID 135956777) has the molecular formula C14H5N2O8-3 and a molecular weight of 329.20 g/mol. Its IUPAC name is 2,7-dicarboxy-4,5-dioxido-6H-pyrrolo[2,3-f]quinoline-9-carboxylate.

Molecular Properties

Compound Name2,7-dicarboxy-4,5-dioxido-6H-pyrrolo[2,3-f]quinoline-9-carboxylate
PubChem CID135956777
Molecular FormulaC14H5N2O8-3
Molecular Weight329.20 g/mol
Exact Mass329.01
IUPAC Name2,7-dicarboxy-4,5-dioxido-6H-pyrrolo[2,3-f]quinoline-9-carboxylate
SMILESO=C(O)c1cc2c([O-])c([O-])c3[nH]c(C(=O)O)cc(C(=O)[O-])c3c2n1
InChIInChI=1S/C14H8N2O8/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/h1-2,16-18H,(H,19,20)(H,21,22)(H,23,24)/p-3
InChIKeyQKZCLDGSTDNTDJ-UHFFFAOYSA-K
XLogP-1.38
TPSA189.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,7-dicarboxy-4,5-dioxido-6H-pyrrolo[2,3-f]quinoline-9-carboxylate?
The IUPAC name of 2,7-dicarboxy-4,5-dioxido-6H-pyrrolo[2,3-f]quinoline-9-carboxylate (CID 135956777) is 2,7-dicarboxy-4,5-dioxido-6H-pyrrolo[2,3-f]quinoline-9-carboxylate.
What is the SMILES notation for 2,7-dicarboxy-4,5-dioxido-6H-pyrrolo[2,3-f]quinoline-9-carboxylate?
The canonical SMILES for 2,7-dicarboxy-4,5-dioxido-6H-pyrrolo[2,3-f]quinoline-9-carboxylate is O=C(O)c1cc2c([O-])c([O-])c3[nH]c(C(=O)O)cc(C(=O)[O-])c3c2n1.
What is the InChIKey of 2,7-dicarboxy-4,5-dioxido-6H-pyrrolo[2,3-f]quinoline-9-carboxylate?
The InChIKey is QKZCLDGSTDNTDJ-UHFFFAOYSA-K. The full InChI is InChI=1S/C14H8N2O8/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/h1-2,16-18H,(H,19,20)(H,21,22)(H,23,24)/p-3.
What are the key properties of 2,7-dicarboxy-4,5-dioxido-6H-pyrrolo[2,3-f]quinoline-9-carboxylate?
2,7-dicarboxy-4,5-dioxido-6H-pyrrolo[2,3-f]quinoline-9-carboxylate has a molecular weight of 329.20 g/mol, XLogP of -1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dicarboxy-4,5-dioxido-6H-pyrrolo[2,3-f]quinoline-9-carboxylate is sourced from PubChem (CID 135956777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).