[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate

C20H15FN2O4 — CID 16611585

IUPAC[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate
SMILESCOc1ccc(F)cc1C(=O)COC(=O)/C=C/c1cnc2ccccc2n1
InChIInChI=1S/C20H15FN2O4/c1-26-19-8-6-13(21)10-15(19)18(24)12-27-20(25)9-7-14-11-22-16-4-2-3-5-17(16)23-14/h2-11H,12H2,1H3/b9-7+
InChIKeyRGGODYQXNDSSNS-VQHVLOKHSA-N
MW366.35 g/mol
LogP3.22
Rot. Bonds6

About [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate (PubChem CID 16611585) has the molecular formula C20H15FN2O4 and a molecular weight of 366.35 g/mol. Its IUPAC name is [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate.

Molecular Properties

Compound Name[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate
PubChem CID16611585
Molecular FormulaC20H15FN2O4
Molecular Weight366.35 g/mol
Exact Mass366.10
IUPAC Name[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate
SMILESCOc1ccc(F)cc1C(=O)COC(=O)/C=C/c1cnc2ccccc2n1
InChIInChI=1S/C20H15FN2O4/c1-26-19-8-6-13(21)10-15(19)18(24)12-27-20(25)9-7-14-11-22-16-4-2-3-5-17(16)23-14/h2-11H,12H2,1H3/b9-7+
InChIKeyRGGODYQXNDSSNS-VQHVLOKHSA-N
XLogP3.22
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-quinolin-8-ylbenzamide
CID 836519
2-ethoxy-N-quinolin-8-ylbenzamide
CID 836546
(2-Methoxyphenyl)[1-(5-quinoxalinylmethyl)-3-piperidinyl]methanone
CID 16189897
1-(4-Methylphenyl)-2-(3-quinoxalin-2-ylphenoxy)ethanone
CID 1979873
Methyl 2-(2-quinoxalinyloxy)benzenecarboxylate
CID 3734302
2-Oxo-2-phenylethyl 4-(quinoxalin-2-yl)benzoate
CID 1910210
(E)-1-(5-fluoro-2-methoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one
CID 44419406
(E)-1-(4-methoxyphenyl)-3-quinoxalin-6-ylprop-2-en-1-one
CID 30896378
2-methoxy-N'-(2-quinoxalinylmethylene)benzohydrazide
CID 6871314
(E)-1-(4-fluoro-2-methoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one
CID 44419401
(E)-1-(4-fluoro-2-methoxyphenyl)-3-quinolin-4-ylprop-2-en-1-one
CID 44419404
(E)-1-(5-fluoro-2-methoxyphenyl)-3-quinolin-4-ylprop-2-en-1-one
CID 44419408

Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate?
The IUPAC name of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate (CID 16611585) is [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate.
What is the SMILES notation for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate?
The canonical SMILES for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate is COc1ccc(F)cc1C(=O)COC(=O)/C=C/c1cnc2ccccc2n1.
What is the InChIKey of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate?
The InChIKey is RGGODYQXNDSSNS-VQHVLOKHSA-N. The full InChI is InChI=1S/C20H15FN2O4/c1-26-19-8-6-13(21)10-15(19)18(24)12-27-20(25)9-7-14-11-22-16-4-2-3-5-17(16)23-14/h2-11H,12H2,1H3/b9-7+.
What are the key properties of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate?
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate has a molecular weight of 366.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate is sourced from PubChem (CID 16611585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).