4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acid

C10H9NO3 — CID 589851

IUPAC4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acid
SMILESO=C1CC(C(=O)O)Nc2ccccc21
InChIInChI=1S/C10H9NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-4,8,11H,5H2,(H,13,14)
InChIKeyVYOPZMJTHXGKID-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.14
Rot. Bonds1

About 4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acid

4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acid (PubChem CID 589851) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acid
PubChem CID589851
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acid
SMILESO=C1CC(C(=O)O)Nc2ccccc21
InChIInChI=1S/C10H9NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-4,8,11H,5H2,(H,13,14)
InChIKeyVYOPZMJTHXGKID-UHFFFAOYSA-N
XLogP1.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acid?
The IUPAC name of 4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acid (CID 589851) is 4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acid.
What is the SMILES notation for 4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acid?
The canonical SMILES for 4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acid is O=C1CC(C(=O)O)Nc2ccccc21.
What is the InChIKey of 4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acid?
The InChIKey is VYOPZMJTHXGKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-4,8,11H,5H2,(H,13,14).
What are the key properties of 4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acid?
4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acid is sourced from PubChem (CID 589851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).