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

C17H11NO4 — CID 57126411

IUPAC2-(4-carboxyphenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1
InChIInChI=1S/C17H11NO4/c19-16(20)11-7-5-10(6-8-11)15-9-13(17(21)22)12-3-1-2-4-14(12)18-15/h1-9H,(H,19,20)(H,21,22)
InChIKeyINLAIWHDDJOADH-UHFFFAOYSA-N
MW293.28 g/mol
LogP3.30
Rot. Bonds3

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

2-(4-carboxyphenyl)quinoline-4-carboxylic acid (PubChem CID 57126411) has the molecular formula C17H11NO4 and a molecular weight of 293.28 g/mol. Its IUPAC name is 2-(4-carboxyphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-carboxyphenyl)quinoline-4-carboxylic acid
PubChem CID57126411
Molecular FormulaC17H11NO4
Molecular Weight293.28 g/mol
Exact Mass293.07
IUPAC Name2-(4-carboxyphenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1
InChIInChI=1S/C17H11NO4/c19-16(20)11-7-5-10(6-8-11)15-9-13(17(21)22)12-3-1-2-4-14(12)18-15/h1-9H,(H,19,20)(H,21,22)
InChIKeyINLAIWHDDJOADH-UHFFFAOYSA-N
XLogP3.30
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper
CID 59873950
4-(4-carboxyquinolin-2-yl)phenolate
CID 135399143
CID 87530134
CID 87530134
2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate
CID 3109026
2-phenylquinoline-4-carboxylic acid;prop-1-ene
CID 143187114
azanium 2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid
CID 101438368
2-(3,4-difluorophenyl)quinoline-4-carboxylic acid
CID 4611633
2-(4-acetyloxyphenyl)quinoline-4-carboxylic acid
CID 67205145
2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid
CID 2759386

Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxyphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(4-carboxyphenyl)quinoline-4-carboxylic acid (CID 57126411) is 2-(4-carboxyphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-carboxyphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-carboxyphenyl)quinoline-4-carboxylic acid is O=C(O)c1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-carboxyphenyl)quinoline-4-carboxylic acid?
The InChIKey is INLAIWHDDJOADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO4/c19-16(20)11-7-5-10(6-8-11)15-9-13(17(21)22)12-3-1-2-4-14(12)18-15/h1-9H,(H,19,20)(H,21,22).
What are the key properties of 2-(4-carboxyphenyl)quinoline-4-carboxylic acid?
2-(4-carboxyphenyl)quinoline-4-carboxylic acid has a molecular weight of 293.28 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carboxyphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 57126411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).