5-chloro-6,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid

C12H10ClNO5 — CID 43532026

IUPAC5-chloro-6,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCOc1cc(OC)c2[nH]cc(C(=O)O)c(=O)c2c1Cl
InChIInChI=1S/C12H10ClNO5/c1-18-6-3-7(19-2)10-8(9(6)13)11(15)5(4-14-10)12(16)17/h3-4H,1-2H3,(H,14,15)(H,16,17)
InChIKeyJSCFNUDGZHMVES-UHFFFAOYSA-N
MW283.67 g/mol
LogP1.90
Rot. Bonds3

About 5-chloro-6,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid

5-chloro-6,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 43532026) has the molecular formula C12H10ClNO5 and a molecular weight of 283.67 g/mol. Its IUPAC name is 5-chloro-6,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID43532026
Molecular FormulaC12H10ClNO5
Molecular Weight283.67 g/mol
Exact Mass283.02
IUPAC Name5-chloro-6,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCOc1cc(OC)c2[nH]cc(C(=O)O)c(=O)c2c1Cl
InChIInChI=1S/C12H10ClNO5/c1-18-6-3-7(19-2)10-8(9(6)13)11(15)5(4-14-10)12(16)17/h3-4H,1-2H3,(H,14,15)(H,16,17)
InChIKeyJSCFNUDGZHMVES-UHFFFAOYSA-N
XLogP1.90
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.67
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 5-chloro-6,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid (CID 43532026) is 5-chloro-6,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 5-chloro-6,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid is COc1cc(OC)c2[nH]cc(C(=O)O)c(=O)c2c1Cl.
What is the InChIKey of 5-chloro-6,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is JSCFNUDGZHMVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO5/c1-18-6-3-7(19-2)10-8(9(6)13)11(15)5(4-14-10)12(16)17/h3-4H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 5-chloro-6,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid?
5-chloro-6,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 283.67 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 43532026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).