6-(2-chlorophenoxy)quinoline-4-carboxylic acid

C16H10ClNO3 — CID 102941682

IUPAC6-(2-chlorophenoxy)quinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc2ccc(Oc3ccccc3Cl)cc12
InChIInChI=1S/C16H10ClNO3/c17-13-3-1-2-4-15(13)21-10-5-6-14-12(9-10)11(16(19)20)7-8-18-14/h1-9H,(H,19,20)
InChIKeyXLDZNQQNLGHHMY-UHFFFAOYSA-N
MW299.71 g/mol
LogP4.38
Rot. Bonds3

About 6-(2-chlorophenoxy)quinoline-4-carboxylic acid

6-(2-chlorophenoxy)quinoline-4-carboxylic acid (PubChem CID 102941682) has the molecular formula C16H10ClNO3 and a molecular weight of 299.71 g/mol. Its IUPAC name is 6-(2-chlorophenoxy)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-(2-chlorophenoxy)quinoline-4-carboxylic acid
PubChem CID102941682
Molecular FormulaC16H10ClNO3
Molecular Weight299.71 g/mol
Exact Mass299.03
IUPAC Name6-(2-chlorophenoxy)quinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc2ccc(Oc3ccccc3Cl)cc12
InChIInChI=1S/C16H10ClNO3/c17-13-3-1-2-4-15(13)21-10-5-6-14-12(9-10)11(16(19)20)7-8-18-14/h1-9H,(H,19,20)
InChIKeyXLDZNQQNLGHHMY-UHFFFAOYSA-N
XLogP4.38
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.71
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenoxy)quinoline-4-carboxylic acid?
The IUPAC name of 6-(2-chlorophenoxy)quinoline-4-carboxylic acid (CID 102941682) is 6-(2-chlorophenoxy)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-(2-chlorophenoxy)quinoline-4-carboxylic acid?
The canonical SMILES for 6-(2-chlorophenoxy)quinoline-4-carboxylic acid is O=C(O)c1ccnc2ccc(Oc3ccccc3Cl)cc12.
What is the InChIKey of 6-(2-chlorophenoxy)quinoline-4-carboxylic acid?
The InChIKey is XLDZNQQNLGHHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO3/c17-13-3-1-2-4-15(13)21-10-5-6-14-12(9-10)11(16(19)20)7-8-18-14/h1-9H,(H,19,20).
What are the key properties of 6-(2-chlorophenoxy)quinoline-4-carboxylic acid?
6-(2-chlorophenoxy)quinoline-4-carboxylic acid has a molecular weight of 299.71 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenoxy)quinoline-4-carboxylic acid is sourced from PubChem (CID 102941682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).