2-(3-chlorophenoxy)ethyl (E)-3-quinolin-8-ylprop-2-enoate

C20H16ClNO3 — CID 16617759

IUPAC2-(3-chlorophenoxy)ethyl (E)-3-quinolin-8-ylprop-2-enoate
SMILESO=C(/C=C/c1cccc2cccnc12)OCCOc1cccc(Cl)c1
InChIInChI=1S/C20H16ClNO3/c21-17-7-2-8-18(14-17)24-12-13-25-19(23)10-9-16-5-1-4-15-6-3-11-22-20(15)16/h1-11,14H,12-13H2/b10-9+
InChIKeyFMLYPEPTJICWSF-MDZDMXLPSA-N
MW353.81 g/mol
LogP4.52
Rot. Bonds6

About 2-(3-chlorophenoxy)ethyl (E)-3-quinolin-8-ylprop-2-enoate

2-(3-chlorophenoxy)ethyl (E)-3-quinolin-8-ylprop-2-enoate (PubChem CID 16617759) has the molecular formula C20H16ClNO3 and a molecular weight of 353.81 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)ethyl (E)-3-quinolin-8-ylprop-2-enoate.

Molecular Properties

Compound Name2-(3-chlorophenoxy)ethyl (E)-3-quinolin-8-ylprop-2-enoate
PubChem CID16617759
Molecular FormulaC20H16ClNO3
Molecular Weight353.81 g/mol
Exact Mass353.08
IUPAC Name2-(3-chlorophenoxy)ethyl (E)-3-quinolin-8-ylprop-2-enoate
SMILESO=C(/C=C/c1cccc2cccnc12)OCCOc1cccc(Cl)c1
InChIInChI=1S/C20H16ClNO3/c21-17-7-2-8-18(14-17)24-12-13-25-19(23)10-9-16-5-1-4-15-6-3-11-22-20(15)16/h1-11,14H,12-13H2/b10-9+
InChIKeyFMLYPEPTJICWSF-MDZDMXLPSA-N
XLogP4.52
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(2,4,6-trichloroanilino)ethyl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16607705
cyanomethyl (E)-3-quinolin-8-ylprop-2-enoate
CID 16607642
[2-oxo-2-(2,3,5,6-tetrachloroanilino)ethyl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16607830
(3,3-dimethyl-2-oxobutyl) (E)-3-quinolin-8-ylprop-2-enoate
CID 16607648
8-[2-[2-(3-chlorophenoxy)ethoxy]ethoxy]quinoline
CID 2284547
2-(3-chlorophenoxy)ethyl (E)-3-(4-nitrophenyl)prop-2-enoate
CID 9106962
2-phenoxyethyl 3-(2-chlorophenyl)prop-2-enoate
CID 4980822
(3-chloro-1-benzothiophen-2-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate
CID 18286779
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-quinolin-8-ylprop-2-enoate
CID 16608171
(2-chloro-7,8-dimethylquinolin-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate
CID 16608148
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16607784
(E)-3-[2-(3-chlorophenoxy)-3-pyridinyl]prop-2-enoic acid
CID 114057080

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)ethyl (E)-3-quinolin-8-ylprop-2-enoate?
The IUPAC name of 2-(3-chlorophenoxy)ethyl (E)-3-quinolin-8-ylprop-2-enoate (CID 16617759) is 2-(3-chlorophenoxy)ethyl (E)-3-quinolin-8-ylprop-2-enoate.
What is the SMILES notation for 2-(3-chlorophenoxy)ethyl (E)-3-quinolin-8-ylprop-2-enoate?
The canonical SMILES for 2-(3-chlorophenoxy)ethyl (E)-3-quinolin-8-ylprop-2-enoate is O=C(/C=C/c1cccc2cccnc12)OCCOc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)ethyl (E)-3-quinolin-8-ylprop-2-enoate?
The InChIKey is FMLYPEPTJICWSF-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H16ClNO3/c21-17-7-2-8-18(14-17)24-12-13-25-19(23)10-9-16-5-1-4-15-6-3-11-22-20(15)16/h1-11,14H,12-13H2/b10-9+.
What are the key properties of 2-(3-chlorophenoxy)ethyl (E)-3-quinolin-8-ylprop-2-enoate?
2-(3-chlorophenoxy)ethyl (E)-3-quinolin-8-ylprop-2-enoate has a molecular weight of 353.81 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)ethyl (E)-3-quinolin-8-ylprop-2-enoate is sourced from PubChem (CID 16617759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).