6-chloro-2-oxo-6H-quinoline-4-carboxylic acid

C10H6ClNO3 — CID 74694617

IUPAC6-chloro-2-oxo-6H-quinoline-4-carboxylic acid
SMILESO=C1C=C(C(=O)O)C2=CC(Cl)C=CC2=N1
InChIInChI=1S/C10H6ClNO3/c11-5-1-2-8-6(3-5)7(10(14)15)4-9(13)12-8/h1-5H,(H,14,15)
InChIKeyCBNWHHWQDONZHX-UHFFFAOYSA-N
MW223.62 g/mol
LogP1.08
Rot. Bonds1

About 6-chloro-2-oxo-6H-quinoline-4-carboxylic acid

6-chloro-2-oxo-6H-quinoline-4-carboxylic acid (PubChem CID 74694617) has the molecular formula C10H6ClNO3 and a molecular weight of 223.62 g/mol. Its IUPAC name is 6-chloro-2-oxo-6H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-oxo-6H-quinoline-4-carboxylic acid
PubChem CID74694617
Molecular FormulaC10H6ClNO3
Molecular Weight223.62 g/mol
Exact Mass223.00
IUPAC Name6-chloro-2-oxo-6H-quinoline-4-carboxylic acid
SMILESO=C1C=C(C(=O)O)C2=CC(Cl)C=CC2=N1
InChIInChI=1S/C10H6ClNO3/c11-5-1-2-8-6(3-5)7(10(14)15)4-9(13)12-8/h1-5H,(H,14,15)
InChIKeyCBNWHHWQDONZHX-UHFFFAOYSA-N
XLogP1.08
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

7-fluoro-2-oxo-4aH-quinoline-4-carboxylic acid
CID 75263405
6,7-difluoro-2-oxo-6H-quinoline-4-carboxylic acid
CID 75998293
2-Oxo-2H-indole-4-carboxylic acid
CID 53423770
2,3-Dioxoquinoxaline-5-carboxylic acid
CID 67799393
2,3-Dihydroquinoline-5-carboxylic acid
CID 150637150
6-methyl-2-oxo-4aH-quinoline-4-carboxylic acid
CID 71650455
2-oxo-4aH-quinoline-5-carboxylic acid
CID 73179433
2-oxo-4aH-quinoline-4-carboxylic acid;hydrate
CID 74315819
2-oxo-4aH-quinoline-4-carboxylic acid
CID 74315820
6-bromo-2-oxo-6H-quinoline-4-carboxylic acid
CID 74688477
7-chloro-2-oxo-4aH-quinoline-4-carboxylic acid
CID 76026792
6,8-Quinolinedicarboxylic acid, 1,2-dihydro-2-oxo-
CID 76034321

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-oxo-6H-quinoline-4-carboxylic acid?
The IUPAC name of 6-chloro-2-oxo-6H-quinoline-4-carboxylic acid (CID 74694617) is 6-chloro-2-oxo-6H-quinoline-4-carboxylic acid.
What is the SMILES notation for 6-chloro-2-oxo-6H-quinoline-4-carboxylic acid?
The canonical SMILES for 6-chloro-2-oxo-6H-quinoline-4-carboxylic acid is O=C1C=C(C(=O)O)C2=CC(Cl)C=CC2=N1.
What is the InChIKey of 6-chloro-2-oxo-6H-quinoline-4-carboxylic acid?
The InChIKey is CBNWHHWQDONZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO3/c11-5-1-2-8-6(3-5)7(10(14)15)4-9(13)12-8/h1-5H,(H,14,15).
What are the key properties of 6-chloro-2-oxo-6H-quinoline-4-carboxylic acid?
6-chloro-2-oxo-6H-quinoline-4-carboxylic acid has a molecular weight of 223.62 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-oxo-6H-quinoline-4-carboxylic acid is sourced from PubChem (CID 74694617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).