2-oxo-4aH-quinoline-5-carboxylic acid

C10H7NO3 — CID 73179433

IUPAC2-oxo-4aH-quinoline-5-carboxylic acid
SMILESO=C1C=CC2C(C(=O)O)=CC=CC2=N1
InChIInChI=1S/C10H7NO3/c12-9-5-4-6-7(10(13)14)2-1-3-8(6)11-9/h1-6H,(H,13,14)
InChIKeyWQGRIOBYLPXOJM-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.72
Rot. Bonds1

About 2-oxo-4aH-quinoline-5-carboxylic acid

2-oxo-4aH-quinoline-5-carboxylic acid (PubChem CID 73179433) has the molecular formula C10H7NO3 and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-oxo-4aH-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name2-oxo-4aH-quinoline-5-carboxylic acid
PubChem CID73179433
Molecular FormulaC10H7NO3
Molecular Weight189.17 g/mol
Exact Mass189.04
IUPAC Name2-oxo-4aH-quinoline-5-carboxylic acid
SMILESO=C1C=CC2C(C(=O)O)=CC=CC2=N1
InChIInChI=1S/C10H7NO3/c12-9-5-4-6-7(10(13)14)2-1-3-8(6)11-9/h1-6H,(H,13,14)
InChIKeyWQGRIOBYLPXOJM-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-oxo-6aH-phenanthridine-3-carboxylic acid
CID 118009871
7-fluoro-2-oxo-4aH-quinoline-4-carboxylic acid
CID 75263405
6,7-difluoro-2-oxo-6H-quinoline-4-carboxylic acid
CID 75998293
6,7-difluoro-2-oxo-4aH-quinoline-4-carboxylic acid
CID 133652374
2-Oxo-2H-indole-4-carboxylic acid
CID 53423770
2,3-Dioxoquinoxaline-5-carboxylic acid
CID 67799393
(E)-3-(2-oxo-8H-quinolin-3-yl)prop-2-enoic acid
CID 88210007
2-(2-Oxoquinolin-3-ylidene)acetic acid
CID 141001940
2,3-Dihydroquinoline-5-carboxylic acid
CID 150637150
2-oxo-3H-quinoline-7-carboxylic acid
CID 152026221
6-methyl-2-oxo-4aH-quinoline-4-carboxylic acid
CID 71650455
7-bromo-2-oxo-4aH-quinoline-4-carboxylic acid
CID 71651028

Frequently Asked Questions

What is the IUPAC name of 2-oxo-4aH-quinoline-5-carboxylic acid?
The IUPAC name of 2-oxo-4aH-quinoline-5-carboxylic acid (CID 73179433) is 2-oxo-4aH-quinoline-5-carboxylic acid.
What is the SMILES notation for 2-oxo-4aH-quinoline-5-carboxylic acid?
The canonical SMILES for 2-oxo-4aH-quinoline-5-carboxylic acid is O=C1C=CC2C(C(=O)O)=CC=CC2=N1.
What is the InChIKey of 2-oxo-4aH-quinoline-5-carboxylic acid?
The InChIKey is WQGRIOBYLPXOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3/c12-9-5-4-6-7(10(13)14)2-1-3-8(6)11-9/h1-6H,(H,13,14).
What are the key properties of 2-oxo-4aH-quinoline-5-carboxylic acid?
2-oxo-4aH-quinoline-5-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-5-carboxylic acid is sourced from PubChem (CID 73179433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).