5-[(E)-2-phenylethenyl]quinoline-2,4-dicarboxylic acid

C19H13NO4 — CID 11120753

IUPAC5-[(E)-2-phenylethenyl]quinoline-2,4-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c2c(/C=C/c3ccccc3)cccc2n1
InChIInChI=1S/C19H13NO4/c21-18(22)14-11-16(19(23)24)20-15-8-4-7-13(17(14)15)10-9-12-5-2-1-3-6-12/h1-11H,(H,21,22)(H,23,24)/b10-9+
InChIKeyAOEHFZMCAWRMNM-MDZDMXLPSA-N
MW319.32 g/mol
LogP3.80
Rot. Bonds4

About 5-[(E)-2-phenylethenyl]quinoline-2,4-dicarboxylic acid

5-[(E)-2-phenylethenyl]quinoline-2,4-dicarboxylic acid (PubChem CID 11120753) has the molecular formula C19H13NO4 and a molecular weight of 319.32 g/mol. Its IUPAC name is 5-[(E)-2-phenylethenyl]quinoline-2,4-dicarboxylic acid.

Molecular Properties

Compound Name5-[(E)-2-phenylethenyl]quinoline-2,4-dicarboxylic acid
PubChem CID11120753
Molecular FormulaC19H13NO4
Molecular Weight319.32 g/mol
Exact Mass319.08
IUPAC Name5-[(E)-2-phenylethenyl]quinoline-2,4-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c2c(/C=C/c3ccccc3)cccc2n1
InChIInChI=1S/C19H13NO4/c21-18(22)14-11-16(19(23)24)20-15-8-4-7-13(17(14)15)10-9-12-5-2-1-3-6-12/h1-11H,(H,21,22)(H,23,24)/b10-9+
InChIKeyAOEHFZMCAWRMNM-MDZDMXLPSA-N
XLogP3.80
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-phenylethenyl]quinoline-2,4-dicarboxylic acid?
The IUPAC name of 5-[(E)-2-phenylethenyl]quinoline-2,4-dicarboxylic acid (CID 11120753) is 5-[(E)-2-phenylethenyl]quinoline-2,4-dicarboxylic acid.
What is the SMILES notation for 5-[(E)-2-phenylethenyl]quinoline-2,4-dicarboxylic acid?
The canonical SMILES for 5-[(E)-2-phenylethenyl]quinoline-2,4-dicarboxylic acid is O=C(O)c1cc(C(=O)O)c2c(/C=C/c3ccccc3)cccc2n1.
What is the InChIKey of 5-[(E)-2-phenylethenyl]quinoline-2,4-dicarboxylic acid?
The InChIKey is AOEHFZMCAWRMNM-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H13NO4/c21-18(22)14-11-16(19(23)24)20-15-8-4-7-13(17(14)15)10-9-12-5-2-1-3-6-12/h1-11H,(H,21,22)(H,23,24)/b10-9+.
What are the key properties of 5-[(E)-2-phenylethenyl]quinoline-2,4-dicarboxylic acid?
5-[(E)-2-phenylethenyl]quinoline-2,4-dicarboxylic acid has a molecular weight of 319.32 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-phenylethenyl]quinoline-2,4-dicarboxylic acid is sourced from PubChem (CID 11120753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).