3-(4-hydroxyphenyl)quinoline-2,4-dicarboxylic acid

C17H11NO5 — CID 704860

IUPAC3-(4-hydroxyphenyl)quinoline-2,4-dicarboxylic acid
SMILESO=C(O)c1nc2ccccc2c(C(=O)O)c1-c1ccc(O)cc1
InChIInChI=1S/C17H11NO5/c19-10-7-5-9(6-8-10)13-14(16(20)21)11-3-1-2-4-12(11)18-15(13)17(22)23/h1-8,19H,(H,20,21)(H,22,23)
InChIKeyXQSXPWNRZVQROF-UHFFFAOYSA-N
MW309.28 g/mol
LogP3.00
Rot. Bonds3

About 3-(4-hydroxyphenyl)quinoline-2,4-dicarboxylic acid

3-(4-hydroxyphenyl)quinoline-2,4-dicarboxylic acid (PubChem CID 704860) has the molecular formula C17H11NO5 and a molecular weight of 309.28 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)quinoline-2,4-dicarboxylic acid.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)quinoline-2,4-dicarboxylic acid
PubChem CID704860
Molecular FormulaC17H11NO5
Molecular Weight309.28 g/mol
Exact Mass309.06
IUPAC Name3-(4-hydroxyphenyl)quinoline-2,4-dicarboxylic acid
SMILESO=C(O)c1nc2ccccc2c(C(=O)O)c1-c1ccc(O)cc1
InChIInChI=1S/C17H11NO5/c19-10-7-5-9(6-8-10)13-14(16(20)21)11-3-1-2-4-12(11)18-15(13)17(22)23/h1-8,19H,(H,20,21)(H,22,23)
InChIKeyXQSXPWNRZVQROF-UHFFFAOYSA-N
XLogP3.00
TPSA107.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenylquinoline-2,3-dicarboxylic acid
CID 23469806
2,3-bis(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 95560580
2-phenylquinoline-3,4-dicarboxylic acid
CID 71341092
3-(4-methoxyphenyl)quinoline-2,4-dicarboxylate
CID 5216026
iridium;phenanthridine-6-carboxylic acid
CID 59015465
6-oxobenzo[c][1]benzazepine-11-carboxylic acid
CID 154239718
benzo[b]phenazine-6,11-dicarboxylic acid
CID 154692279
3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid
CID 14498175
3-(4-hydroxyphenyl)benzene-1,2,4-tricarboxylic acid
CID 23436693
3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 140991456
3-(1-adamantyl)-1-(4-hydroxyphenyl)naphthalene-2-carboxylic acid
CID 23219124
9-(4-hydroxyphenyl)anthracene-1-carboxylic acid
CID 174994514

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)quinoline-2,4-dicarboxylic acid?
The IUPAC name of 3-(4-hydroxyphenyl)quinoline-2,4-dicarboxylic acid (CID 704860) is 3-(4-hydroxyphenyl)quinoline-2,4-dicarboxylic acid.
What is the SMILES notation for 3-(4-hydroxyphenyl)quinoline-2,4-dicarboxylic acid?
The canonical SMILES for 3-(4-hydroxyphenyl)quinoline-2,4-dicarboxylic acid is O=C(O)c1nc2ccccc2c(C(=O)O)c1-c1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)quinoline-2,4-dicarboxylic acid?
The InChIKey is XQSXPWNRZVQROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO5/c19-10-7-5-9(6-8-10)13-14(16(20)21)11-3-1-2-4-12(11)18-15(13)17(22)23/h1-8,19H,(H,20,21)(H,22,23).
What are the key properties of 3-(4-hydroxyphenyl)quinoline-2,4-dicarboxylic acid?
3-(4-hydroxyphenyl)quinoline-2,4-dicarboxylic acid has a molecular weight of 309.28 g/mol, XLogP of 3.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)quinoline-2,4-dicarboxylic acid is sourced from PubChem (CID 704860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).