2-oxo-4aH-quinoline-4-carboxylic acid

Name: 2-oxo-4aH-quinoline-4-carboxylic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₀H₇NO₃ — CID 74315820

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-oxo-4aH-quinoline-4-carboxylic acid

SMILESO=C1C=C(C(=O)O)C2C=CC=CC2=N1

InChIInChI=1S/C10H7NO3/c12-9-5-7(10(13)14)6-3-1-2-4-8(6)11-9/h1-6H,(H,13,14)

InChIKeyGMUXRNATNDBLPD-UHFFFAOYSA-N

MW189.17 g/mol

LogP0.72

Rot. Bonds1

About 2-oxo-4aH-quinoline-4-carboxylic acid

2-oxo-4aH-quinoline-4-carboxylic acid (PubChem CID 74315820) has the molecular formula C₁₀H₇NO₃ and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-oxo-4aH-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name	2-oxo-4aH-quinoline-4-carboxylic acid
PubChem CID	74315820
Molecular Formula	C₁₀H₇NO₃
Molecular Weight	189.17 g/mol
Exact Mass	189.04
IUPAC Name	2-oxo-4aH-quinoline-4-carboxylic acid
SMILES	O=C1C=C(C(=O)O)C2C=CC=CC2=N1
InChI	InChI=1S/C10H7NO3/c12-9-5-7(10(13)14)6-3-1-2-4-8(6)11-9/h1-6H,(H,13,14)
InChIKey	GMUXRNATNDBLPD-UHFFFAOYSA-N
XLogP	0.72
TPSA	66.73 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	1
Heavy Atoms	14
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	189.17
LogP ≤ 5	0.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-oxo-4aH-quinoline-4-carboxylic acid?

The IUPAC name of 2-oxo-4aH-quinoline-4-carboxylic acid (CID 74315820) is 2-oxo-4aH-quinoline-4-carboxylic acid.

What is the SMILES notation for 2-oxo-4aH-quinoline-4-carboxylic acid?

The canonical SMILES for 2-oxo-4aH-quinoline-4-carboxylic acid is O=C1C=C(C(=O)O)C2C=CC=CC2=N1.

What is the InChIKey of 2-oxo-4aH-quinoline-4-carboxylic acid?

The InChIKey is GMUXRNATNDBLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3/c12-9-5-7(10(13)14)6-3-1-2-4-8(6)11-9/h1-6H,(H,13,14).

What are the key properties of 2-oxo-4aH-quinoline-4-carboxylic acid?

2-oxo-4aH-quinoline-4-carboxylic acid has a molecular weight of 189.17 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-oxo-4aH-quinoline-4-carboxylic acid is sourced from PubChem (CID 74315820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 74315820 — identifiers, structure, computed properties (public domain)

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