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

C10H7NO4 — CID 72725908

IUPAC8-hydroxy-2-oxo-4aH-quinoline-4-carboxylic acid
SMILESO=C1C=C(C(=O)O)C2C=CC=C(O)C2=N1
InChIInChI=1S/C10H7NO4/c12-7-3-1-2-5-6(10(14)15)4-8(13)11-9(5)7/h1-5,12H,(H,14,15)
InChIKeyINZBBSQVCGQJAF-UHFFFAOYSA-N
MW205.17 g/mol
LogP0.61
Rot. Bonds1

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

8-hydroxy-2-oxo-4aH-quinoline-4-carboxylic acid (PubChem CID 72725908) has the molecular formula C10H7NO4 and a molecular weight of 205.17 g/mol. Its IUPAC name is 8-hydroxy-2-oxo-4aH-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-hydroxy-2-oxo-4aH-quinoline-4-carboxylic acid
PubChem CID72725908
Molecular FormulaC10H7NO4
Molecular Weight205.17 g/mol
Exact Mass205.04
IUPAC Name8-hydroxy-2-oxo-4aH-quinoline-4-carboxylic acid
SMILESO=C1C=C(C(=O)O)C2C=CC=C(O)C2=N1
InChIInChI=1S/C10H7NO4/c12-7-3-1-2-5-6(10(14)15)4-8(13)11-9(5)7/h1-5,12H,(H,14,15)
InChIKeyINZBBSQVCGQJAF-UHFFFAOYSA-N
XLogP0.61
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
2-oxo-8-(trifluoromethoxy)-4aH-quinoline-5-carboxylic acid
CID 156621264
6-methyl-2-oxo-4aH-quinoline-4-carboxylic acid
CID 71650455
7-bromo-2-oxo-4aH-quinoline-4-carboxylic acid
CID 71651028
8-bromo-2-oxo-4aH-quinoline-4-carboxylic acid
CID 71651035
2-oxo-4aH-quinoline-5-carboxylic acid
CID 73179433
3-Hydroxy-2-oxo-1,2-dihydro-8-quinolinecarboxylic acid
CID 73657831
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
7-chloro-2-oxo-4aH-quinoline-4-carboxylic acid
CID 76026792

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-oxo-4aH-quinoline-4-carboxylic acid?
The IUPAC name of 8-hydroxy-2-oxo-4aH-quinoline-4-carboxylic acid (CID 72725908) is 8-hydroxy-2-oxo-4aH-quinoline-4-carboxylic acid.
What is the SMILES notation for 8-hydroxy-2-oxo-4aH-quinoline-4-carboxylic acid?
The canonical SMILES for 8-hydroxy-2-oxo-4aH-quinoline-4-carboxylic acid is O=C1C=C(C(=O)O)C2C=CC=C(O)C2=N1.
What is the InChIKey of 8-hydroxy-2-oxo-4aH-quinoline-4-carboxylic acid?
The InChIKey is INZBBSQVCGQJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO4/c12-7-3-1-2-5-6(10(14)15)4-8(13)11-9(5)7/h1-5,12H,(H,14,15).
What are the key properties of 8-hydroxy-2-oxo-4aH-quinoline-4-carboxylic acid?
8-hydroxy-2-oxo-4aH-quinoline-4-carboxylic acid has a molecular weight of 205.17 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-oxo-4aH-quinoline-4-carboxylic acid is sourced from PubChem (CID 72725908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).