(E)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide

C21H18F3N3O3 — CID 26177460

IUPAC(E)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1cnc2ccccc2n1
InChIInChI=1S/C21H18F3N3O3/c1-29-10-11-30-19-8-6-14(21(22,23)24)12-18(19)27-20(28)9-7-15-13-25-16-4-2-3-5-17(16)26-15/h2-9,12-13H,10-11H2,1H3,(H,27,28)/b9-7+
InChIKeyXHPIRIAAQUPRBK-VQHVLOKHSA-N
MW417.39 g/mol
LogP4.33
Rot. Bonds7

About (E)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide

(E)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide (PubChem CID 26177460) has the molecular formula C21H18F3N3O3 and a molecular weight of 417.39 g/mol. Its IUPAC name is (E)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide
PubChem CID26177460
Molecular FormulaC21H18F3N3O3
Molecular Weight417.39 g/mol
Exact Mass417.13
IUPAC Name(E)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1cnc2ccccc2n1
InChIInChI=1S/C21H18F3N3O3/c1-29-10-11-30-19-8-6-14(21(22,23)24)12-18(19)27-20(28)9-7-15-13-25-16-4-2-3-5-17(16)26-15/h2-9,12-13H,10-11H2,1H3,(H,27,28)/b9-7+
InChIKeyXHPIRIAAQUPRBK-VQHVLOKHSA-N
XLogP4.33
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 54.33
H-Bond Donors ≤ 51
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

(E)-N-(2-ethoxyphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 17444738
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 26177558
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylquinoline-4-carboxamide
CID 26177646
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 16549697
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]isoquinoline-1-carboxamide
CID 60604524
2-(2-hydroxyphenyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide
CID 52847984
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 17454228
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 17439153
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)acetamide
CID 2632480
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 2446516
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-oxochromene-3-carboxamide
CID 9268804
[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate
CID 2508704

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide (CID 26177460) is (E)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide is COCCOc1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1cnc2ccccc2n1.
What is the InChIKey of (E)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide?
The InChIKey is XHPIRIAAQUPRBK-VQHVLOKHSA-N. The full InChI is InChI=1S/C21H18F3N3O3/c1-29-10-11-30-19-8-6-14(21(22,23)24)12-18(19)27-20(28)9-7-15-13-25-16-4-2-3-5-17(16)26-15/h2-9,12-13H,10-11H2,1H3,(H,27,28)/b9-7+.
What are the key properties of (E)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide?
(E)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide has a molecular weight of 417.39 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide is sourced from PubChem (CID 26177460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).