quinoline-2,8-dicarboxylic acid

C11H7NO4 — CID 19033995

IUPACquinoline-2,8-dicarboxylic acid
SMILESO=C(O)c1ccc2cccc(C(=O)O)c2n1
InChIInChI=1S/C11H7NO4/c13-10(14)7-3-1-2-6-4-5-8(11(15)16)12-9(6)7/h1-5H,(H,13,14)(H,15,16)
InChIKeyWHSSOGYCQXMHCL-UHFFFAOYSA-N
MW217.18 g/mol
LogP1.63
Rot. Bonds2

About quinoline-2,8-dicarboxylic acid

quinoline-2,8-dicarboxylic acid (PubChem CID 19033995) has the molecular formula C11H7NO4 and a molecular weight of 217.18 g/mol. Its IUPAC name is quinoline-2,8-dicarboxylic acid.

Molecular Properties

Compound Namequinoline-2,8-dicarboxylic acid
PubChem CID19033995
Molecular FormulaC11H7NO4
Molecular Weight217.18 g/mol
Exact Mass217.04
IUPAC Namequinoline-2,8-dicarboxylic acid
SMILESO=C(O)c1ccc2cccc(C(=O)O)c2n1
InChIInChI=1S/C11H7NO4/c13-10(14)7-3-1-2-6-4-5-8(11(15)16)12-9(6)7/h1-5H,(H,13,14)(H,15,16)
InChIKeyWHSSOGYCQXMHCL-UHFFFAOYSA-N
XLogP1.63
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzene;europium;1,10-phenanthroline-2,9-dicarboxylic acid
CID 161453399
2-carboxyquinolin-8-olate
CID 54696394
copper;bis(8-hydroxyquinoline-2-carboxylic acid)
CID 172842653
tris(2-carboxyquinolin-8-olate);terbium(3+)
CID 157443748
copper bis(2-carboxyquinolin-8-olate)
CID 54720975
bis(2-carboxyquinolin-8-olate);europium(2+)
CID 87928997
calcium bis(2-carboxyquinolin-8-olate)
CID 68819194
2-ethoxycarbonylquinoline-8-carboxylic acid
CID 141289138
2-carboxyquinolin-8-olate;methylmercury(1+)
CID 70518723
palladium;quinoline-8-carboxylic acid
CID 174945118
ethane;ethene;1,10-phenanthroline-2-carboxylic acid
CID 145372120
8-(2-methoxyethyl)quinoline-2-carboxylic acid
CID 102941517

Frequently Asked Questions

What is the IUPAC name of quinoline-2,8-dicarboxylic acid?
The IUPAC name of quinoline-2,8-dicarboxylic acid (CID 19033995) is quinoline-2,8-dicarboxylic acid.
What is the SMILES notation for quinoline-2,8-dicarboxylic acid?
The canonical SMILES for quinoline-2,8-dicarboxylic acid is O=C(O)c1ccc2cccc(C(=O)O)c2n1.
What is the InChIKey of quinoline-2,8-dicarboxylic acid?
The InChIKey is WHSSOGYCQXMHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO4/c13-10(14)7-3-1-2-6-4-5-8(11(15)16)12-9(6)7/h1-5H,(H,13,14)(H,15,16).
What are the key properties of quinoline-2,8-dicarboxylic acid?
quinoline-2,8-dicarboxylic acid has a molecular weight of 217.18 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinoline-2,8-dicarboxylic acid is sourced from PubChem (CID 19033995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).