2-carboxyquinolin-8-olate

C10H6NO3- — CID 54696394

IUPAC2-carboxyquinolin-8-olate
SMILESO=C(O)c1ccc2cccc([O-])c2n1
InChIInChI=1S/C10H7NO3/c12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8/h1-5,12H,(H,13,14)/p-1
InChIKeyUHBIKXOBLZWFKM-UHFFFAOYSA-M
MW188.16 g/mol
LogP1.01
Rot. Bonds1

About 2-carboxyquinolin-8-olate

2-carboxyquinolin-8-olate (PubChem CID 54696394) has the molecular formula C10H6NO3- and a molecular weight of 188.16 g/mol. Its IUPAC name is 2-carboxyquinolin-8-olate.

Molecular Properties

Compound Name2-carboxyquinolin-8-olate
PubChem CID54696394
Molecular FormulaC10H6NO3-
Molecular Weight188.16 g/mol
Exact Mass188.04
IUPAC Name2-carboxyquinolin-8-olate
SMILESO=C(O)c1ccc2cccc([O-])c2n1
InChIInChI=1S/C10H7NO3/c12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8/h1-5,12H,(H,13,14)/p-1
InChIKeyUHBIKXOBLZWFKM-UHFFFAOYSA-M
XLogP1.01
TPSA73.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-carboxyquinolin-8-olate with MolForge

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

Launch Full Analysis

Related Compounds

tris(2-carboxyquinolin-8-olate);terbium(3+)
CID 157443748
bis(2-carboxyquinolin-8-olate);europium(2+)
CID 87928997
copper bis(2-carboxyquinolin-8-olate)
CID 54720975
calcium bis(2-carboxyquinolin-8-olate)
CID 68819194
2-carboxyquinolin-8-olate;methylmercury(1+)
CID 70518723
benzene;europium;1,10-phenanthroline-2,9-dicarboxylic acid
CID 161453399
quinoline-2,8-dicarboxylic acid
CID 19033995
copper;bis(8-hydroxyquinoline-2-carboxylic acid)
CID 172842653
zinc bis(2-(3-phenylprop-2-enoyl)quinolin-8-olate)
CID 67043114
methylsulfinylmethane;8-oxidoquinoline-2-carboxylate;oxygen(2-);vanadium(4+)
CID 139115046
aluminum tris(3-carboxyquinoxalin-5-olate)
CID 173096044
ethane;ethene;1,10-phenanthroline-2-carboxylic acid
CID 145372120

Frequently Asked Questions

What is the IUPAC name of 2-carboxyquinolin-8-olate?
The IUPAC name of 2-carboxyquinolin-8-olate (CID 54696394) is 2-carboxyquinolin-8-olate.
What is the SMILES notation for 2-carboxyquinolin-8-olate?
The canonical SMILES for 2-carboxyquinolin-8-olate is O=C(O)c1ccc2cccc([O-])c2n1.
What is the InChIKey of 2-carboxyquinolin-8-olate?
The InChIKey is UHBIKXOBLZWFKM-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H7NO3/c12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8/h1-5,12H,(H,13,14)/p-1.
What are the key properties of 2-carboxyquinolin-8-olate?
2-carboxyquinolin-8-olate has a molecular weight of 188.16 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxyquinolin-8-olate is sourced from PubChem (CID 54696394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).