4-chloro-2-oxo-1H-quinoline-3-carboxylic acid

C10H6ClNO3 — CID 839978

IUPAC4-chloro-2-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c(Cl)c2ccccc2[nH]c1=O
InChIInChI=1S/C10H6ClNO3/c11-8-5-3-1-2-4-6(5)12-9(13)7(8)10(14)15/h1-4H,(H,12,13)(H,14,15)
InChIKeyNTCNBKQOUPVIJW-UHFFFAOYSA-N
MW223.62 g/mol
LogP1.88
Rot. Bonds1

About 4-chloro-2-oxo-1H-quinoline-3-carboxylic acid

4-chloro-2-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 839978) has the molecular formula C10H6ClNO3 and a molecular weight of 223.62 g/mol. Its IUPAC name is 4-chloro-2-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-2-oxo-1H-quinoline-3-carboxylic acid
PubChem CID839978
Molecular FormulaC10H6ClNO3
Molecular Weight223.62 g/mol
Exact Mass223.00
IUPAC Name4-chloro-2-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c(Cl)c2ccccc2[nH]c1=O
InChIInChI=1S/C10H6ClNO3/c11-8-5-3-1-2-4-6(5)12-9(13)7(8)10(14)15/h1-4H,(H,12,13)(H,14,15)
InChIKeyNTCNBKQOUPVIJW-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 4-chloro-2-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 4-chloro-2-oxo-1H-quinoline-3-carboxylic acid (CID 839978) is 4-chloro-2-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 4-chloro-2-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 4-chloro-2-oxo-1H-quinoline-3-carboxylic acid is O=C(O)c1c(Cl)c2ccccc2[nH]c1=O.
What is the InChIKey of 4-chloro-2-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is NTCNBKQOUPVIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO3/c11-8-5-3-1-2-4-6(5)12-9(13)7(8)10(14)15/h1-4H,(H,12,13)(H,14,15).
What are the key properties of 4-chloro-2-oxo-1H-quinoline-3-carboxylic acid?
4-chloro-2-oxo-1H-quinoline-3-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 4-chloro-2-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 839978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).