7-chloro-6-methoxy-4-oxo-1H-quinoline-3-carboxylic acid

C11H8ClNO4 — CID 54772963

IUPAC7-chloro-6-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCOc1cc2c(=O)c(C(=O)O)c[nH]c2cc1Cl
InChIInChI=1S/C11H8ClNO4/c1-17-9-2-5-8(3-7(9)12)13-4-6(10(5)14)11(15)16/h2-4H,1H3,(H,13,14)(H,15,16)
InChIKeyKZAPVUVSOGZKJA-UHFFFAOYSA-N
MW253.64 g/mol
LogP1.89
Rot. Bonds2

About 7-chloro-6-methoxy-4-oxo-1H-quinoline-3-carboxylic acid

7-chloro-6-methoxy-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 54772963) has the molecular formula C11H8ClNO4 and a molecular weight of 253.64 g/mol. Its IUPAC name is 7-chloro-6-methoxy-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-6-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID54772963
Molecular FormulaC11H8ClNO4
Molecular Weight253.64 g/mol
Exact Mass253.01
IUPAC Name7-chloro-6-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCOc1cc2c(=O)c(C(=O)O)c[nH]c2cc1Cl
InChIInChI=1S/C11H8ClNO4/c1-17-9-2-5-8(3-7(9)12)13-4-6(10(5)14)11(15)16/h2-4H,1H3,(H,13,14)(H,15,16)
InChIKeyKZAPVUVSOGZKJA-UHFFFAOYSA-N
XLogP1.89
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.64
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-methoxy-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 7-chloro-6-methoxy-4-oxo-1H-quinoline-3-carboxylic acid (CID 54772963) is 7-chloro-6-methoxy-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 7-chloro-6-methoxy-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 7-chloro-6-methoxy-4-oxo-1H-quinoline-3-carboxylic acid is COc1cc2c(=O)c(C(=O)O)c[nH]c2cc1Cl.
What is the InChIKey of 7-chloro-6-methoxy-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is KZAPVUVSOGZKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO4/c1-17-9-2-5-8(3-7(9)12)13-4-6(10(5)14)11(15)16/h2-4H,1H3,(H,13,14)(H,15,16).
What are the key properties of 7-chloro-6-methoxy-4-oxo-1H-quinoline-3-carboxylic acid?
7-chloro-6-methoxy-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 253.64 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-methoxy-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 54772963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).