quinoline-3,5,7,8-tetracarboxylic acid

C13H7NO8 — CID 22158765

IUPACquinoline-3,5,7,8-tetracarboxylic acid
SMILESO=C(O)c1cnc2c(C(=O)O)c(C(=O)O)cc(C(=O)O)c2c1
InChIInChI=1S/C13H7NO8/c15-10(16)4-1-5-6(11(17)18)2-7(12(19)20)8(13(21)22)9(5)14-3-4/h1-3H,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKeyZUZTUPOBQFUJII-UHFFFAOYSA-N
MW305.20 g/mol
LogP1.03
Rot. Bonds4

About quinoline-3,5,7,8-tetracarboxylic acid

quinoline-3,5,7,8-tetracarboxylic acid (PubChem CID 22158765) has the molecular formula C13H7NO8 and a molecular weight of 305.20 g/mol. Its IUPAC name is quinoline-3,5,7,8-tetracarboxylic acid.

Molecular Properties

Compound Namequinoline-3,5,7,8-tetracarboxylic acid
PubChem CID22158765
Molecular FormulaC13H7NO8
Molecular Weight305.20 g/mol
Exact Mass305.02
IUPAC Namequinoline-3,5,7,8-tetracarboxylic acid
SMILESO=C(O)c1cnc2c(C(=O)O)c(C(=O)O)cc(C(=O)O)c2c1
InChIInChI=1S/C13H7NO8/c15-10(16)4-1-5-6(11(17)18)2-7(12(19)20)8(13(21)22)9(5)14-3-4/h1-3H,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKeyZUZTUPOBQFUJII-UHFFFAOYSA-N
XLogP1.03
TPSA162.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of quinoline-3,5,7,8-tetracarboxylic acid?
The IUPAC name of quinoline-3,5,7,8-tetracarboxylic acid (CID 22158765) is quinoline-3,5,7,8-tetracarboxylic acid.
What is the SMILES notation for quinoline-3,5,7,8-tetracarboxylic acid?
The canonical SMILES for quinoline-3,5,7,8-tetracarboxylic acid is O=C(O)c1cnc2c(C(=O)O)c(C(=O)O)cc(C(=O)O)c2c1.
What is the InChIKey of quinoline-3,5,7,8-tetracarboxylic acid?
The InChIKey is ZUZTUPOBQFUJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7NO8/c15-10(16)4-1-5-6(11(17)18)2-7(12(19)20)8(13(21)22)9(5)14-3-4/h1-3H,(H,15,16)(H,17,18)(H,19,20)(H,21,22).
What are the key properties of quinoline-3,5,7,8-tetracarboxylic acid?
quinoline-3,5,7,8-tetracarboxylic acid has a molecular weight of 305.20 g/mol, XLogP of 1.03, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for quinoline-3,5,7,8-tetracarboxylic acid is sourced from PubChem (CID 22158765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).