4-(oxomethylidene)-3H-quinoline-3-carboxylic acid

C11H7NO3 — CID 156790403

IUPAC4-(oxomethylidene)-3H-quinoline-3-carboxylic acid
SMILESO=C=C1c2ccccc2N=CC1C(=O)O
InChIInChI=1S/C11H7NO3/c13-6-9-7-3-1-2-4-10(7)12-5-8(9)11(14)15/h1-5,8H,(H,14,15)
InChIKeyUGPKASBHKQCBFC-UHFFFAOYSA-N
MW201.18 g/mol
LogP1.32
Rot. Bonds1

About 4-(oxomethylidene)-3H-quinoline-3-carboxylic acid

4-(oxomethylidene)-3H-quinoline-3-carboxylic acid (PubChem CID 156790403) has the molecular formula C11H7NO3 and a molecular weight of 201.18 g/mol. Its IUPAC name is 4-(oxomethylidene)-3H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-(oxomethylidene)-3H-quinoline-3-carboxylic acid
PubChem CID156790403
Molecular FormulaC11H7NO3
Molecular Weight201.18 g/mol
Exact Mass201.04
IUPAC Name4-(oxomethylidene)-3H-quinoline-3-carboxylic acid
SMILESO=C=C1c2ccccc2N=CC1C(=O)O
InChIInChI=1S/C11H7NO3/c13-6-9-7-3-1-2-4-10(7)12-5-8(9)11(14)15/h1-5,8H,(H,14,15)
InChIKeyUGPKASBHKQCBFC-UHFFFAOYSA-N
XLogP1.32
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(oxomethylidene)-3H-quinoline-3-carboxylic acid?
The IUPAC name of 4-(oxomethylidene)-3H-quinoline-3-carboxylic acid (CID 156790403) is 4-(oxomethylidene)-3H-quinoline-3-carboxylic acid.
What is the SMILES notation for 4-(oxomethylidene)-3H-quinoline-3-carboxylic acid?
The canonical SMILES for 4-(oxomethylidene)-3H-quinoline-3-carboxylic acid is O=C=C1c2ccccc2N=CC1C(=O)O.
What is the InChIKey of 4-(oxomethylidene)-3H-quinoline-3-carboxylic acid?
The InChIKey is UGPKASBHKQCBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO3/c13-6-9-7-3-1-2-4-10(7)12-5-8(9)11(14)15/h1-5,8H,(H,14,15).
What are the key properties of 4-(oxomethylidene)-3H-quinoline-3-carboxylic acid?
4-(oxomethylidene)-3H-quinoline-3-carboxylic acid has a molecular weight of 201.18 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxomethylidene)-3H-quinoline-3-carboxylic acid is sourced from PubChem (CID 156790403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).