quinoline-7,8-dicarboxylic acid

C11H7NO4 — CID 19101920

IUPACquinoline-7,8-dicarboxylic acid
SMILESO=C(O)c1ccc2cccnc2c1C(=O)O
InChIInChI=1S/C11H7NO4/c13-10(14)7-4-3-6-2-1-5-12-9(6)8(7)11(15)16/h1-5H,(H,13,14)(H,15,16)
InChIKeyWCHKKUMRGPRZOG-UHFFFAOYSA-N
MW217.18 g/mol
LogP1.63
Rot. Bonds2

About quinoline-7,8-dicarboxylic acid

quinoline-7,8-dicarboxylic acid (PubChem CID 19101920) has the molecular formula C11H7NO4 and a molecular weight of 217.18 g/mol. Its IUPAC name is quinoline-7,8-dicarboxylic acid.

Molecular Properties

Compound Namequinoline-7,8-dicarboxylic acid
PubChem CID19101920
Molecular FormulaC11H7NO4
Molecular Weight217.18 g/mol
Exact Mass217.04
IUPAC Namequinoline-7,8-dicarboxylic acid
SMILESO=C(O)c1ccc2cccnc2c1C(=O)O
InChIInChI=1S/C11H7NO4/c13-10(14)7-4-3-6-2-1-5-12-9(6)8(7)11(15)16/h1-5H,(H,13,14)(H,15,16)
InChIKeyWCHKKUMRGPRZOG-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

tris(benzene-1,2,4,5-tetracarboxylic acid);tetrakis(1,10-phenanthroline)
CID 71445169
8-chloroquinoline-7-carboxylic acid
CID 70925417
7-fluoroquinoline-8-carboxylic acid
CID 71721093
7-methoxyquinoline-8-carboxylic acid
CID 68774583
palladium;quinoline-8-carboxylic acid
CID 174945118
tris(2-carboxyphenolate);lanthanum(3+);1,10-phenanthroline
CID 139240156
7-propylquinoline-8-carboxylic acid
CID 86190873
nickel(2+);tris(1,10-phenanthroline);bis(2,4,5-tricarboxybenzoate);hydrate
CID 139082419
4,6-bis(1,10-phenanthrolin-2-yl)benzene-1,3-dicarboxylic acid
CID 118448774
acetic acid;palladium;bis(1,10-phenanthroline)
CID 11261760
dichlorocopper;hydrogen peroxide;1,10-phenanthroline
CID 158916437
europium;tris(2-(4-methylbenzoyl)benzoic acid);1,10-phenanthroline
CID 58978734

Frequently Asked Questions

What is the IUPAC name of quinoline-7,8-dicarboxylic acid?
The IUPAC name of quinoline-7,8-dicarboxylic acid (CID 19101920) is quinoline-7,8-dicarboxylic acid.
What is the SMILES notation for quinoline-7,8-dicarboxylic acid?
The canonical SMILES for quinoline-7,8-dicarboxylic acid is O=C(O)c1ccc2cccnc2c1C(=O)O.
What is the InChIKey of quinoline-7,8-dicarboxylic acid?
The InChIKey is WCHKKUMRGPRZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO4/c13-10(14)7-4-3-6-2-1-5-12-9(6)8(7)11(15)16/h1-5H,(H,13,14)(H,15,16).
What are the key properties of quinoline-7,8-dicarboxylic acid?
quinoline-7,8-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-7,8-dicarboxylic acid is sourced from PubChem (CID 19101920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).