2-oxo-3H-quinoline-4-carboxylic acid

C10H7NO3 — CID 604972

IUPAC2-oxo-3H-quinoline-4-carboxylic acid
SMILESO=C1CC(C(=O)O)=c2ccccc2=N1
InChIInChI=1S/C10H7NO3/c12-9-5-7(10(13)14)6-3-1-2-4-8(6)11-9/h1-4H,5H2,(H,13,14)
InChIKeyMYIKKOZPUBQRIY-UHFFFAOYSA-N
MW189.17 g/mol
LogP-0.53
Rot. Bonds1

About 2-oxo-3H-quinoline-4-carboxylic acid

2-oxo-3H-quinoline-4-carboxylic acid (PubChem CID 604972) has the molecular formula C10H7NO3 and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-oxo-3H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-oxo-3H-quinoline-4-carboxylic acid
PubChem CID604972
Molecular FormulaC10H7NO3
Molecular Weight189.17 g/mol
Exact Mass189.04
IUPAC Name2-oxo-3H-quinoline-4-carboxylic acid
SMILESO=C1CC(C(=O)O)=c2ccccc2=N1
InChIInChI=1S/C10H7NO3/c12-9-5-7(10(13)14)6-3-1-2-4-8(6)11-9/h1-4H,5H2,(H,13,14)
InChIKeyMYIKKOZPUBQRIY-UHFFFAOYSA-N
XLogP-0.53
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-Oxoindol-3-yl)acetic acid
CID 11788737
6-methyl-2-oxo-3H-pyridine-4-carboxylic acid
CID 91192989
5-Hydroxy-2,3-dioxoquinoline-4-carboxylic acid
CID 136443428
2-(2-Oxoquinolin-3-ylidene)acetic acid
CID 141001940
2-oxo-3H-quinoline-7-carboxylic acid
CID 152026221
3-Methyl-2-oxo-1,2-dihydro-6-quinolinecarboxylic acid
CID 76851285

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3H-quinoline-4-carboxylic acid?
The IUPAC name of 2-oxo-3H-quinoline-4-carboxylic acid (CID 604972) is 2-oxo-3H-quinoline-4-carboxylic acid.
What is the SMILES notation for 2-oxo-3H-quinoline-4-carboxylic acid?
The canonical SMILES for 2-oxo-3H-quinoline-4-carboxylic acid is O=C1CC(C(=O)O)=c2ccccc2=N1.
What is the InChIKey of 2-oxo-3H-quinoline-4-carboxylic acid?
The InChIKey is MYIKKOZPUBQRIY-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/h1-4H,5H2,(H,13,14).
What are the key properties of 2-oxo-3H-quinoline-4-carboxylic acid?
2-oxo-3H-quinoline-4-carboxylic acid has a molecular weight of 189.17 g/mol, XLogP of -0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3H-quinoline-4-carboxylic acid is sourced from PubChem (CID 604972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).