2-(4-chlorophenoxy)ethyl (E)-3-quinoxalin-2-ylprop-2-enoate

C19H15ClN2O3 — CID 2127821

IUPAC2-(4-chlorophenoxy)ethyl (E)-3-quinoxalin-2-ylprop-2-enoate
SMILESO=C(/C=C/c1cnc2ccccc2n1)OCCOc1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN2O3/c20-14-5-8-16(9-6-14)24-11-12-25-19(23)10-7-15-13-21-17-3-1-2-4-18(17)22-15/h1-10,13H,11-12H2/b10-7+
InChIKeyFCWPHBXAIFZKIA-JXMROGBWSA-N
MW354.79 g/mol
LogP3.92
Rot. Bonds6

About 2-(4-chlorophenoxy)ethyl (E)-3-quinoxalin-2-ylprop-2-enoate

2-(4-chlorophenoxy)ethyl (E)-3-quinoxalin-2-ylprop-2-enoate (PubChem CID 2127821) has the molecular formula C19H15ClN2O3 and a molecular weight of 354.79 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)ethyl (E)-3-quinoxalin-2-ylprop-2-enoate.

Molecular Properties

Compound Name2-(4-chlorophenoxy)ethyl (E)-3-quinoxalin-2-ylprop-2-enoate
PubChem CID2127821
Molecular FormulaC19H15ClN2O3
Molecular Weight354.79 g/mol
Exact Mass354.08
IUPAC Name2-(4-chlorophenoxy)ethyl (E)-3-quinoxalin-2-ylprop-2-enoate
SMILESO=C(/C=C/c1cnc2ccccc2n1)OCCOc1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN2O3/c20-14-5-8-16(9-6-14)24-11-12-25-19(23)10-7-15-13-21-17-3-1-2-4-18(17)22-15/h1-10,13H,11-12H2/b10-7+
InChIKeyFCWPHBXAIFZKIA-JXMROGBWSA-N
XLogP3.92
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-(4-chlorophenyl)-3-quinoxalin-2-ylprop-2-en-1-one
CID 84906464
2-(4-sulfamoylphenoxy)ethyl (E)-3-quinolin-2-ylprop-2-enoate
CID 8848396
N-[4-(4-methylphenoxy)butyl]-3-quinoxalin-2-ylprop-2-enamide
CID 76884363
2-phenoxyethyl 3-(2-chlorophenyl)prop-2-enoate
CID 4980822
[1-(difluoromethyl)benzimidazol-2-yl]methyl (E)-3-quinoxalin-2-ylprop-2-enoate
CID 16625271
N,N-dimethyl-2-[4-[(E)-3-quinoxalin-2-ylprop-2-enoyl]phenoxy]acetamide
CID 9033770
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate
CID 2552575
[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate
CID 2508704
3-[2-[2-(4-chlorophenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 20994228
2-quinoxalin-2-yloxyethyl prop-2-enoate
CID 59502779
(E)-N-(3-chloro-4-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 26695967
(E)-3-[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-4-yl]prop-2-enoic acid
CID 82516273

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)ethyl (E)-3-quinoxalin-2-ylprop-2-enoate?
The IUPAC name of 2-(4-chlorophenoxy)ethyl (E)-3-quinoxalin-2-ylprop-2-enoate (CID 2127821) is 2-(4-chlorophenoxy)ethyl (E)-3-quinoxalin-2-ylprop-2-enoate.
What is the SMILES notation for 2-(4-chlorophenoxy)ethyl (E)-3-quinoxalin-2-ylprop-2-enoate?
The canonical SMILES for 2-(4-chlorophenoxy)ethyl (E)-3-quinoxalin-2-ylprop-2-enoate is O=C(/C=C/c1cnc2ccccc2n1)OCCOc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)ethyl (E)-3-quinoxalin-2-ylprop-2-enoate?
The InChIKey is FCWPHBXAIFZKIA-JXMROGBWSA-N. The full InChI is InChI=1S/C19H15ClN2O3/c20-14-5-8-16(9-6-14)24-11-12-25-19(23)10-7-15-13-21-17-3-1-2-4-18(17)22-15/h1-10,13H,11-12H2/b10-7+.
What are the key properties of 2-(4-chlorophenoxy)ethyl (E)-3-quinoxalin-2-ylprop-2-enoate?
2-(4-chlorophenoxy)ethyl (E)-3-quinoxalin-2-ylprop-2-enoate has a molecular weight of 354.79 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)ethyl (E)-3-quinoxalin-2-ylprop-2-enoate is sourced from PubChem (CID 2127821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).