5-chloro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid

C10H8ClNO3 — CID 82158894

IUPAC5-chloro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid
SMILESO=C1CC(C(=O)O)c2c(Cl)cccc2N1
InChIInChI=1S/C10H8ClNO3/c11-6-2-1-3-7-9(6)5(10(14)15)4-8(13)12-7/h1-3,5H,4H2,(H,12,13)(H,14,15)
InChIKeyJORIGUOQOGMVPQ-UHFFFAOYSA-N
MW225.63 g/mol
LogP1.85
Rot. Bonds1

About 5-chloro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid

5-chloro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid (PubChem CID 82158894) has the molecular formula C10H8ClNO3 and a molecular weight of 225.63 g/mol. Its IUPAC name is 5-chloro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid
PubChem CID82158894
Molecular FormulaC10H8ClNO3
Molecular Weight225.63 g/mol
Exact Mass225.02
IUPAC Name5-chloro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid
SMILESO=C1CC(C(=O)O)c2c(Cl)cccc2N1
InChIInChI=1S/C10H8ClNO3/c11-6-2-1-3-7-9(6)5(10(14)15)4-8(13)12-7/h1-3,5H,4H2,(H,12,13)(H,14,15)
InChIKeyJORIGUOQOGMVPQ-UHFFFAOYSA-N
XLogP1.85
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.63
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid?
The IUPAC name of 5-chloro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid (CID 82158894) is 5-chloro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid is O=C1CC(C(=O)O)c2c(Cl)cccc2N1.
What is the InChIKey of 5-chloro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid?
The InChIKey is JORIGUOQOGMVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO3/c11-6-2-1-3-7-9(6)5(10(14)15)4-8(13)12-7/h1-3,5H,4H2,(H,12,13)(H,14,15).
What are the key properties of 5-chloro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid?
5-chloro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid has a molecular weight of 225.63 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid is sourced from PubChem (CID 82158894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).