6-chloro-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid

C18H14ClNO3 — CID 4314121

IUPAC6-chloro-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid
SMILESCCOc1ccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C18H14ClNO3/c1-2-23-13-6-3-11(4-7-13)17-10-15(18(21)22)14-9-12(19)5-8-16(14)20-17/h3-10H,2H2,1H3,(H,21,22)
InChIKeyOZUXCIVKCYOOSP-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.65
Rot. Bonds4

About 6-chloro-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid

6-chloro-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid (PubChem CID 4314121) has the molecular formula C18H14ClNO3 and a molecular weight of 327.77 g/mol. Its IUPAC name is 6-chloro-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid
PubChem CID4314121
Molecular FormulaC18H14ClNO3
Molecular Weight327.77 g/mol
Exact Mass327.07
IUPAC Name6-chloro-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid
SMILESCCOc1ccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C18H14ClNO3/c1-2-23-13-6-3-11(4-7-13)17-10-15(18(21)22)14-9-12(19)5-8-16(14)20-17/h3-10H,2H2,1H3,(H,21,22)
InChIKeyOZUXCIVKCYOOSP-UHFFFAOYSA-N
XLogP4.65
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 6-chloro-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid (CID 4314121) is 6-chloro-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-chloro-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid is CCOc1ccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 6-chloro-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid?
The InChIKey is OZUXCIVKCYOOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3/c1-2-23-13-6-3-11(4-7-13)17-10-15(18(21)22)14-9-12(19)5-8-16(14)20-17/h3-10H,2H2,1H3,(H,21,22).
What are the key properties of 6-chloro-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid?
6-chloro-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid has a molecular weight of 327.77 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 4314121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).