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

C10H6BrNO3 — CID 71651035

IUPAC8-bromo-2-oxo-4aH-quinoline-4-carboxylic acid
SMILESO=C1C=C(C(=O)O)C2C=CC=C(Br)C2=N1
InChIInChI=1S/C10H6BrNO3/c11-7-3-1-2-5-6(10(14)15)4-8(13)12-9(5)7/h1-5H,(H,14,15)
InChIKeyCEQXICDPUOQWGB-UHFFFAOYSA-N
MW268.07 g/mol
LogP1.44
Rot. Bonds1

About 8-bromo-2-oxo-4aH-quinoline-4-carboxylic acid

8-bromo-2-oxo-4aH-quinoline-4-carboxylic acid (PubChem CID 71651035) has the molecular formula C10H6BrNO3 and a molecular weight of 268.07 g/mol. Its IUPAC name is 8-bromo-2-oxo-4aH-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-bromo-2-oxo-4aH-quinoline-4-carboxylic acid
PubChem CID71651035
Molecular FormulaC10H6BrNO3
Molecular Weight268.07 g/mol
Exact Mass266.95
IUPAC Name8-bromo-2-oxo-4aH-quinoline-4-carboxylic acid
SMILESO=C1C=C(C(=O)O)C2C=CC=C(Br)C2=N1
InChIInChI=1S/C10H6BrNO3/c11-7-3-1-2-5-6(10(14)15)4-8(13)12-9(5)7/h1-5H,(H,14,15)
InChIKeyCEQXICDPUOQWGB-UHFFFAOYSA-N
XLogP1.44
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.07
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-bromo-2-oxo-4aH-quinoline-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-fluoro-2-oxo-4aH-quinoline-4-carboxylic acid
CID 75263405
6,7-difluoro-2-oxo-4aH-quinoline-4-carboxylic acid
CID 133652374
6-methyl-2-oxo-4aH-quinoline-4-carboxylic acid
CID 71650455
7-bromo-2-oxo-4aH-quinoline-4-carboxylic acid
CID 71651028
8-hydroxy-2-oxo-4aH-quinoline-4-carboxylic acid
CID 72725908
2-oxo-4aH-quinoline-5-carboxylic acid
CID 73179433
2-oxo-4aH-quinoline-4-carboxylic acid;hydrate
CID 74315819
2-oxo-4aH-quinoline-4-carboxylic acid
CID 74315820
8-methyl-2-oxo-4aH-quinoline-4-carboxylic acid
CID 74518925
6-bromo-2-oxo-6H-quinoline-4-carboxylic acid
CID 74688477
7-chloro-2-oxo-4aH-quinoline-4-carboxylic acid
CID 76026792
6,8-Quinolinedicarboxylic acid, 1,2-dihydro-2-oxo-
CID 76034321

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-oxo-4aH-quinoline-4-carboxylic acid?
The IUPAC name of 8-bromo-2-oxo-4aH-quinoline-4-carboxylic acid (CID 71651035) is 8-bromo-2-oxo-4aH-quinoline-4-carboxylic acid.
What is the SMILES notation for 8-bromo-2-oxo-4aH-quinoline-4-carboxylic acid?
The canonical SMILES for 8-bromo-2-oxo-4aH-quinoline-4-carboxylic acid is O=C1C=C(C(=O)O)C2C=CC=C(Br)C2=N1.
What is the InChIKey of 8-bromo-2-oxo-4aH-quinoline-4-carboxylic acid?
The InChIKey is CEQXICDPUOQWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO3/c11-7-3-1-2-5-6(10(14)15)4-8(13)12-9(5)7/h1-5H,(H,14,15).
What are the key properties of 8-bromo-2-oxo-4aH-quinoline-4-carboxylic acid?
8-bromo-2-oxo-4aH-quinoline-4-carboxylic acid has a molecular weight of 268.07 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-oxo-4aH-quinoline-4-carboxylic acid is sourced from PubChem (CID 71651035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).