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

C10H6ClNO3 — CID 670543

IUPAC8-chloro-2-oxo-1H-quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c2c(Cl)cccc12
InChIInChI=1S/C10H6ClNO3/c11-7-3-1-2-5-6(10(14)15)4-8(13)12-9(5)7/h1-4H,(H,12,13)(H,14,15)
InChIKeyUFSAYZLIVFQSAD-UHFFFAOYSA-N
MW223.62 g/mol
LogP1.88
Rot. Bonds1

About 8-chloro-2-oxo-1H-quinoline-4-carboxylic acid

8-chloro-2-oxo-1H-quinoline-4-carboxylic acid (PubChem CID 670543) has the molecular formula C10H6ClNO3 and a molecular weight of 223.62 g/mol. Its IUPAC name is 8-chloro-2-oxo-1H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-chloro-2-oxo-1H-quinoline-4-carboxylic acid
PubChem CID670543
Molecular FormulaC10H6ClNO3
Molecular Weight223.62 g/mol
Exact Mass223.00
IUPAC Name8-chloro-2-oxo-1H-quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c2c(Cl)cccc12
InChIInChI=1S/C10H6ClNO3/c11-7-3-1-2-5-6(10(14)15)4-8(13)12-9(5)7/h1-4H,(H,12,13)(H,14,15)
InChIKeyUFSAYZLIVFQSAD-UHFFFAOYSA-N
XLogP1.88
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-oxo-1H-quinoline-4-carboxylic acid?
The IUPAC name of 8-chloro-2-oxo-1H-quinoline-4-carboxylic acid (CID 670543) is 8-chloro-2-oxo-1H-quinoline-4-carboxylic acid.
What is the SMILES notation for 8-chloro-2-oxo-1H-quinoline-4-carboxylic acid?
The canonical SMILES for 8-chloro-2-oxo-1H-quinoline-4-carboxylic acid is O=C(O)c1cc(=O)[nH]c2c(Cl)cccc12.
What is the InChIKey of 8-chloro-2-oxo-1H-quinoline-4-carboxylic acid?
The InChIKey is UFSAYZLIVFQSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO3/c11-7-3-1-2-5-6(10(14)15)4-8(13)12-9(5)7/h1-4H,(H,12,13)(H,14,15).
What are the key properties of 8-chloro-2-oxo-1H-quinoline-4-carboxylic acid?
8-chloro-2-oxo-1H-quinoline-4-carboxylic acid has a molecular weight of 223.62 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-oxo-1H-quinoline-4-carboxylic acid is sourced from PubChem (CID 670543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).