3-oxo-8aH-quinoline-2-carboxylic acid

C10H7NO3 — CID 57203361

IUPAC3-oxo-8aH-quinoline-2-carboxylic acid
SMILESO=C(O)C1=NC2C=CC=CC2=CC1=O
InChIInChI=1S/C10H7NO3/c12-8-5-6-3-1-2-4-7(6)11-9(8)10(13)14/h1-5,7H,(H,13,14)
InChIKeyCUHIFQHEBPWIDY-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.52
Rot. Bonds1

About 3-oxo-8aH-quinoline-2-carboxylic acid

3-oxo-8aH-quinoline-2-carboxylic acid (PubChem CID 57203361) has the molecular formula C10H7NO3 and a molecular weight of 189.17 g/mol. Its IUPAC name is 3-oxo-8aH-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name3-oxo-8aH-quinoline-2-carboxylic acid
PubChem CID57203361
Molecular FormulaC10H7NO3
Molecular Weight189.17 g/mol
Exact Mass189.04
IUPAC Name3-oxo-8aH-quinoline-2-carboxylic acid
SMILESO=C(O)C1=NC2C=CC=CC2=CC1=O
InChIInChI=1S/C10H7NO3/c12-8-5-6-3-1-2-4-7(6)11-9(8)10(13)14/h1-5,7H,(H,13,14)
InChIKeyCUHIFQHEBPWIDY-UHFFFAOYSA-N
XLogP0.52
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-8aH-quinoline-2-carboxylic acid?
The IUPAC name of 3-oxo-8aH-quinoline-2-carboxylic acid (CID 57203361) is 3-oxo-8aH-quinoline-2-carboxylic acid.
What is the SMILES notation for 3-oxo-8aH-quinoline-2-carboxylic acid?
The canonical SMILES for 3-oxo-8aH-quinoline-2-carboxylic acid is O=C(O)C1=NC2C=CC=CC2=CC1=O.
What is the InChIKey of 3-oxo-8aH-quinoline-2-carboxylic acid?
The InChIKey is CUHIFQHEBPWIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3/c12-8-5-6-3-1-2-4-7(6)11-9(8)10(13)14/h1-5,7H,(H,13,14).
What are the key properties of 3-oxo-8aH-quinoline-2-carboxylic acid?
3-oxo-8aH-quinoline-2-carboxylic acid has a molecular weight of 189.17 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-8aH-quinoline-2-carboxylic acid is sourced from PubChem (CID 57203361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).