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

C18H15NO3 — CID 673734

IUPAC2-(4-ethoxyphenyl)quinoline-4-carboxylic acid
SMILESCCOc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1
InChIInChI=1S/C18H15NO3/c1-2-22-13-9-7-12(8-10-13)17-11-15(18(20)21)14-5-3-4-6-16(14)19-17/h3-11H,2H2,1H3,(H,20,21)
InChIKeyIHEXTMYSORWWOQ-UHFFFAOYSA-N
MW293.32 g/mol
LogP4.00
Rot. Bonds4

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

2-(4-ethoxyphenyl)quinoline-4-carboxylic acid (PubChem CID 673734) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)quinoline-4-carboxylic acid
PubChem CID673734
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name2-(4-ethoxyphenyl)quinoline-4-carboxylic acid
SMILESCCOc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1
InChIInChI=1S/C18H15NO3/c1-2-22-13-9-7-12(8-10-13)17-11-15(18(20)21)14-5-3-4-6-16(14)19-17/h3-11H,2H2,1H3,(H,20,21)
InChIKeyIHEXTMYSORWWOQ-UHFFFAOYSA-N
XLogP4.00
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(4-ethoxyphenyl)quinoline-4-carboxylic acid (CID 673734) is 2-(4-ethoxyphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-ethoxyphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-ethoxyphenyl)quinoline-4-carboxylic acid is CCOc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)quinoline-4-carboxylic acid?
The InChIKey is IHEXTMYSORWWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-2-22-13-9-7-12(8-10-13)17-11-15(18(20)21)14-5-3-4-6-16(14)19-17/h3-11H,2H2,1H3,(H,20,21).
What are the key properties of 2-(4-ethoxyphenyl)quinoline-4-carboxylic acid?
2-(4-ethoxyphenyl)quinoline-4-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 673734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).