3-[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]propanoic acid

C20H17NO3 — CID 52614181

IUPAC3-[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]propanoic acid
SMILESO=C(O)CCOc1ccc(/C=C/c2ccc3ccccc3n2)cc1
InChIInChI=1S/C20H17NO3/c22-20(23)13-14-24-18-11-6-15(7-12-18)5-9-17-10-8-16-3-1-2-4-19(16)21-17/h1-12H,13-14H2,(H,22,23)/b9-5+
InChIKeyCYGGERFZCYJMIL-WEVVVXLNSA-N
MW319.36 g/mol
LogP4.26
Rot. Bonds6

About 3-[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]propanoic acid

3-[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]propanoic acid (PubChem CID 52614181) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]propanoic acid.

Molecular Properties

Compound Name3-[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]propanoic acid
PubChem CID52614181
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name3-[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]propanoic acid
SMILESO=C(O)CCOc1ccc(/C=C/c2ccc3ccccc3n2)cc1
InChIInChI=1S/C20H17NO3/c22-20(23)13-14-24-18-11-6-15(7-12-18)5-9-17-10-8-16-3-1-2-4-19(16)21-17/h1-12H,13-14H2,(H,22,23)/b9-5+
InChIKeyCYGGERFZCYJMIL-WEVVVXLNSA-N
XLogP4.26
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-quinolin-2-ylethenyl)phenoxy]acetic acid
CID 4998938
4-[3-[(E)-2-quinolin-2-ylethenyl]phenoxy]butanoic acid
CID 10019718
2-[2-(4-dodecoxyphenyl)ethenyl]quinoline
CID 54189264
3-[2-[[4-(2-quinolin-2-ylethenyl)phenoxy]methyl]phenyl]prop-2-enoic acid
CID 90875996
2-[(E)-2-phenylethenyl]quinoline;sulfuric acid
CID 75366284
2-[N-methyl-4-[(E)-2-quinolin-2-ylethenyl]anilino]propanoic acid
CID 20709092
2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline
CID 5377682
4-[3-[2-(6-chloroquinolin-2-yl)ethenyl]phenoxy]butanoic acid
CID 74086910
CID 67894241
CID 67894241
[4-[(E)-2-benzo[f]quinolin-3-ylethenyl]phenyl]methyl 3-[4-[4-[(E)-2-benzo[f]quinolin-3-ylethenyl]phenoxy]butoxy]naphthalene-2-carboxylate
CID 138115787
2-[(E)-2-(4-propoxyphenyl)ethenyl]quinoline-4-carboxylate
CID 7895126
2-(4-sulfamoylphenoxy)ethyl (E)-3-quinolin-2-ylprop-2-enoate
CID 8848396

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]propanoic acid?
The IUPAC name of 3-[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]propanoic acid (CID 52614181) is 3-[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]propanoic acid.
What is the SMILES notation for 3-[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]propanoic acid?
The canonical SMILES for 3-[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]propanoic acid is O=C(O)CCOc1ccc(/C=C/c2ccc3ccccc3n2)cc1.
What is the InChIKey of 3-[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]propanoic acid?
The InChIKey is CYGGERFZCYJMIL-WEVVVXLNSA-N. The full InChI is InChI=1S/C20H17NO3/c22-20(23)13-14-24-18-11-6-15(7-12-18)5-9-17-10-8-16-3-1-2-4-19(16)21-17/h1-12H,13-14H2,(H,22,23)/b9-5+.
What are the key properties of 3-[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]propanoic acid?
3-[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]propanoic acid has a molecular weight of 319.36 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]propanoic acid is sourced from PubChem (CID 52614181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).