2-(3-hydroxyphenyl)quinoline-4-carboxylic acid

C16H11NO3 — CID 673729

IUPAC2-(3-hydroxyphenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(O)c2)nc2ccccc12
InChIInChI=1S/C16H11NO3/c18-11-5-3-4-10(8-11)15-9-13(16(19)20)12-6-1-2-7-14(12)17-15/h1-9,18H,(H,19,20)
InChIKeyVECNLFVATDBRIW-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.31
Rot. Bonds2

About 2-(3-hydroxyphenyl)quinoline-4-carboxylic acid

2-(3-hydroxyphenyl)quinoline-4-carboxylic acid (PubChem CID 673729) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)quinoline-4-carboxylic acid
PubChem CID673729
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name2-(3-hydroxyphenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(O)c2)nc2ccccc12
InChIInChI=1S/C16H11NO3/c18-11-5-3-4-10(8-11)15-9-13(16(19)20)12-6-1-2-7-14(12)17-15/h1-9,18H,(H,19,20)
InChIKeyVECNLFVATDBRIW-UHFFFAOYSA-N
XLogP3.31
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(3-hydroxyphenyl)quinoline-4-carboxylic acid (CID 673729) is 2-(3-hydroxyphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(3-hydroxyphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(3-hydroxyphenyl)quinoline-4-carboxylic acid is O=C(O)c1cc(-c2cccc(O)c2)nc2ccccc12.
What is the InChIKey of 2-(3-hydroxyphenyl)quinoline-4-carboxylic acid?
The InChIKey is VECNLFVATDBRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c18-11-5-3-4-10(8-11)15-9-13(16(19)20)12-6-1-2-7-14(12)17-15/h1-9,18H,(H,19,20).
What are the key properties of 2-(3-hydroxyphenyl)quinoline-4-carboxylic acid?
2-(3-hydroxyphenyl)quinoline-4-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 673729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).