4-oxo-1H-quinoline-2-carboxylic acid

C10H7NO3 — CID 3845

IUPAC4-oxo-1H-quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
InChIKeyHCZHHEIFKROPDY-UHFFFAOYSA-N
MW189.17 g/mol
LogP1.23
Rot. Bonds1

About 4-oxo-1H-quinoline-2-carboxylic acid

4-oxo-1H-quinoline-2-carboxylic acid (PubChem CID 3845) has the molecular formula C10H7NO3 and a molecular weight of 189.17 g/mol. Its IUPAC name is 4-oxo-1H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1H-quinoline-2-carboxylic acid
PubChem CID3845
Molecular FormulaC10H7NO3
Molecular Weight189.17 g/mol
Exact Mass189.04
IUPAC Name4-oxo-1H-quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
InChIKeyHCZHHEIFKROPDY-UHFFFAOYSA-N
XLogP1.23
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-Chlorokynurenic acid
CID 1884
5,7-Dichlorokynurenic Acid
CID 1779
2-Heptyl-4-hydroxyquinoline
CID 164974
2-Methylquinolin-4-ol
CID 69089
2-Phenyl-4-oxohydroquinoline
CID 161091
Aurachin D
CID 6124753
2-Undecyl-4(1H)-quinolone
CID 10063343
2-(2-Nonenyl)-3-methylquinolin-4(1H)-one
CID 10401590
1,2,3,4-Tetrahydroacridone
CID 95996
2-(Trifluoromethyl)quinolin-4-ol
CID 314576
2,3-Dimethylquinolin-4-OL
CID 237396
2-N-Nonyl-4-Quinolone
CID 9856730

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1H-quinoline-2-carboxylic acid?
The IUPAC name of 4-oxo-1H-quinoline-2-carboxylic acid (CID 3845) is 4-oxo-1H-quinoline-2-carboxylic acid.
What is the SMILES notation for 4-oxo-1H-quinoline-2-carboxylic acid?
The canonical SMILES for 4-oxo-1H-quinoline-2-carboxylic acid is O=C(O)c1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of 4-oxo-1H-quinoline-2-carboxylic acid?
The InChIKey is HCZHHEIFKROPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14).
What are the key properties of 4-oxo-1H-quinoline-2-carboxylic acid?
4-oxo-1H-quinoline-2-carboxylic acid has a molecular weight of 189.17 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1H-quinoline-2-carboxylic acid is sourced from PubChem (CID 3845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).