quinoline-4-carboxylic acid

C10H7NO2 — CID 10243

IUPACquinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc2ccccc12
InChIInChI=1S/C10H7NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H,12,13)
InChIKeyVQMSRUREDGBWKT-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.93
Rot. Bonds1

About quinoline-4-carboxylic acid

quinoline-4-carboxylic acid (PubChem CID 10243) has the molecular formula C10H7NO2 and a molecular weight of 173.17 g/mol. Its IUPAC name is quinoline-4-carboxylic acid.

Molecular Properties

Compound Namequinoline-4-carboxylic acid
PubChem CID10243
Molecular FormulaC10H7NO2
Molecular Weight173.17 g/mol
Exact Mass173.05
IUPAC Namequinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc2ccccc12
InChIInChI=1S/C10H7NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H,12,13)
InChIKeyVQMSRUREDGBWKT-UHFFFAOYSA-N
XLogP1.93
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of quinoline-4-carboxylic acid?
The IUPAC name of quinoline-4-carboxylic acid (CID 10243) is quinoline-4-carboxylic acid.
What is the SMILES notation for quinoline-4-carboxylic acid?
The canonical SMILES for quinoline-4-carboxylic acid is O=C(O)c1ccnc2ccccc12.
What is the InChIKey of quinoline-4-carboxylic acid?
The InChIKey is VQMSRUREDGBWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H,12,13).
What are the key properties of quinoline-4-carboxylic acid?
quinoline-4-carboxylic acid has a molecular weight of 173.17 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for quinoline-4-carboxylic acid is sourced from PubChem (CID 10243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).