methyl 2-[3-[(E)-2-quinolin-2-ylethenyl]phenoxy]acetate

C20H17NO3 — CID 10381270

IUPACmethyl 2-[3-[(E)-2-quinolin-2-ylethenyl]phenoxy]acetate
SMILESCOC(=O)COc1cccc(/C=C/c2ccc3ccccc3n2)c1
InChIInChI=1S/C20H17NO3/c1-23-20(22)14-24-18-7-4-5-15(13-18)9-11-17-12-10-16-6-2-3-8-19(16)21-17/h2-13H,14H2,1H3/b11-9+
InChIKeyZDJMZZUUHCSCKL-PKNBQFBNSA-N
MW319.36 g/mol
LogP3.96
Rot. Bonds5

About methyl 2-[3-[(E)-2-quinolin-2-ylethenyl]phenoxy]acetate

methyl 2-[3-[(E)-2-quinolin-2-ylethenyl]phenoxy]acetate (PubChem CID 10381270) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is methyl 2-[3-[(E)-2-quinolin-2-ylethenyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[(E)-2-quinolin-2-ylethenyl]phenoxy]acetate
PubChem CID10381270
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Namemethyl 2-[3-[(E)-2-quinolin-2-ylethenyl]phenoxy]acetate
SMILESCOC(=O)COc1cccc(/C=C/c2ccc3ccccc3n2)c1
InChIInChI=1S/C20H17NO3/c1-23-20(22)14-24-18-7-4-5-15(13-18)9-11-17-12-10-16-6-2-3-8-19(16)21-17/h2-13H,14H2,1H3/b11-9+
InChIKeyZDJMZZUUHCSCKL-PKNBQFBNSA-N
XLogP3.96
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(E)-2-quinolin-2-ylethenyl]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[(E)-2-quinolin-2-ylethenyl]phenoxy]acetate (CID 10381270) is methyl 2-[3-[(E)-2-quinolin-2-ylethenyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[(E)-2-quinolin-2-ylethenyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[(E)-2-quinolin-2-ylethenyl]phenoxy]acetate is COC(=O)COc1cccc(/C=C/c2ccc3ccccc3n2)c1.
What is the InChIKey of methyl 2-[3-[(E)-2-quinolin-2-ylethenyl]phenoxy]acetate?
The InChIKey is ZDJMZZUUHCSCKL-PKNBQFBNSA-N. The full InChI is InChI=1S/C20H17NO3/c1-23-20(22)14-24-18-7-4-5-15(13-18)9-11-17-12-10-16-6-2-3-8-19(16)21-17/h2-13H,14H2,1H3/b11-9+.
What are the key properties of methyl 2-[3-[(E)-2-quinolin-2-ylethenyl]phenoxy]acetate?
methyl 2-[3-[(E)-2-quinolin-2-ylethenyl]phenoxy]acetate has a molecular weight of 319.36 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(E)-2-quinolin-2-ylethenyl]phenoxy]acetate is sourced from PubChem (CID 10381270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).