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

C16H11NO4 — CID 91190343

IUPAC8-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(O)c2)nc2c(O)cccc12
InChIInChI=1S/C16H11NO4/c18-10-4-1-3-9(7-10)13-8-12(16(20)21)11-5-2-6-14(19)15(11)17-13/h1-8,18-19H,(H,20,21)
InChIKeySBBHSEAHCVSHEA-UHFFFAOYSA-N
MW281.27 g/mol
LogP3.01
Rot. Bonds2

About 8-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxylic acid

8-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxylic acid (PubChem CID 91190343) has the molecular formula C16H11NO4 and a molecular weight of 281.27 g/mol. Its IUPAC name is 8-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxylic acid
PubChem CID91190343
Molecular FormulaC16H11NO4
Molecular Weight281.27 g/mol
Exact Mass281.07
IUPAC Name8-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(O)c2)nc2c(O)cccc12
InChIInChI=1S/C16H11NO4/c18-10-4-1-3-9(7-10)13-8-12(16(20)21)11-5-2-6-14(19)15(11)17-13/h1-8,18-19H,(H,20,21)
InChIKeySBBHSEAHCVSHEA-UHFFFAOYSA-N
XLogP3.01
TPSA90.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 8-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 8-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxylic acid (CID 91190343) is 8-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 8-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 8-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxylic acid is O=C(O)c1cc(-c2cccc(O)c2)nc2c(O)cccc12.
What is the InChIKey of 8-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxylic acid?
The InChIKey is SBBHSEAHCVSHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO4/c18-10-4-1-3-9(7-10)13-8-12(16(20)21)11-5-2-6-14(19)15(11)17-13/h1-8,18-19H,(H,20,21).
What are the key properties of 8-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxylic acid?
8-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of 3.01, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 91190343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).