2-[(E)-2-(2-ethoxyphenyl)ethenyl]quinoline-4-carboxylic acid

C20H17NO3 — CID 6045771

IUPAC2-[(E)-2-(2-ethoxyphenyl)ethenyl]quinoline-4-carboxylic acid
SMILESCCOc1ccccc1/C=C/c1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C20H17NO3/c1-2-24-19-10-6-3-7-14(19)11-12-15-13-17(20(22)23)16-8-4-5-9-18(16)21-15/h3-13H,2H2,1H3,(H,22,23)/b12-11+
InChIKeyHSSKNEVBSSEPFM-VAWYXSNFSA-N
MW319.36 g/mol
LogP4.50
Rot. Bonds5

About 2-[(E)-2-(2-ethoxyphenyl)ethenyl]quinoline-4-carboxylic acid

2-[(E)-2-(2-ethoxyphenyl)ethenyl]quinoline-4-carboxylic acid (PubChem CID 6045771) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-[(E)-2-(2-ethoxyphenyl)ethenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[(E)-2-(2-ethoxyphenyl)ethenyl]quinoline-4-carboxylic acid
PubChem CID6045771
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name2-[(E)-2-(2-ethoxyphenyl)ethenyl]quinoline-4-carboxylic acid
SMILESCCOc1ccccc1/C=C/c1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C20H17NO3/c1-2-24-19-10-6-3-7-14(19)11-12-15-13-17(20(22)23)16-8-4-5-9-18(16)21-15/h3-13H,2H2,1H3,(H,22,23)/b12-11+
InChIKeyHSSKNEVBSSEPFM-VAWYXSNFSA-N
XLogP4.50
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-ethoxyphenyl)ethenyl]quinoline-4-carboxylic acid?
The IUPAC name of 2-[(E)-2-(2-ethoxyphenyl)ethenyl]quinoline-4-carboxylic acid (CID 6045771) is 2-[(E)-2-(2-ethoxyphenyl)ethenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-[(E)-2-(2-ethoxyphenyl)ethenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 2-[(E)-2-(2-ethoxyphenyl)ethenyl]quinoline-4-carboxylic acid is CCOc1ccccc1/C=C/c1cc(C(=O)O)c2ccccc2n1.
What is the InChIKey of 2-[(E)-2-(2-ethoxyphenyl)ethenyl]quinoline-4-carboxylic acid?
The InChIKey is HSSKNEVBSSEPFM-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H17NO3/c1-2-24-19-10-6-3-7-14(19)11-12-15-13-17(20(22)23)16-8-4-5-9-18(16)21-15/h3-13H,2H2,1H3,(H,22,23)/b12-11+.
What are the key properties of 2-[(E)-2-(2-ethoxyphenyl)ethenyl]quinoline-4-carboxylic acid?
2-[(E)-2-(2-ethoxyphenyl)ethenyl]quinoline-4-carboxylic acid has a molecular weight of 319.36 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-ethoxyphenyl)ethenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 6045771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).