(E)-N-(2-ethoxyphenyl)-3-quinoxalin-2-ylprop-2-enamide

C19H17N3O2 — CID 17444738

IUPAC(E)-N-(2-ethoxyphenyl)-3-quinoxalin-2-ylprop-2-enamide
SMILESCCOc1ccccc1NC(=O)/C=C/c1cnc2ccccc2n1
InChIInChI=1S/C19H17N3O2/c1-2-24-18-10-6-5-9-17(18)22-19(23)12-11-14-13-20-15-7-3-4-8-16(15)21-14/h3-13H,2H2,1H3,(H,22,23)/b12-11+
InChIKeyNGQIZXHSLDGJPH-VAWYXSNFSA-N
MW319.36 g/mol
LogP3.68
Rot. Bonds5

About (E)-N-(2-ethoxyphenyl)-3-quinoxalin-2-ylprop-2-enamide

(E)-N-(2-ethoxyphenyl)-3-quinoxalin-2-ylprop-2-enamide (PubChem CID 17444738) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is (E)-N-(2-ethoxyphenyl)-3-quinoxalin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-ethoxyphenyl)-3-quinoxalin-2-ylprop-2-enamide
PubChem CID17444738
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name(E)-N-(2-ethoxyphenyl)-3-quinoxalin-2-ylprop-2-enamide
SMILESCCOc1ccccc1NC(=O)/C=C/c1cnc2ccccc2n1
InChIInChI=1S/C19H17N3O2/c1-2-24-18-10-6-5-9-17(18)22-19(23)12-11-14-13-20-15-7-3-4-8-16(15)21-14/h3-13H,2H2,1H3,(H,22,23)/b12-11+
InChIKeyNGQIZXHSLDGJPH-VAWYXSNFSA-N
XLogP3.68
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(2-chlorophenoxy)phenyl]-3-quinoxalin-2-ylprop-2-enamide
CID 37348146
(E)-N-(2-ethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 84552249
(E)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide
CID 26177460
(E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide
CID 29292325
(E)-N-(3-chloro-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 17392748
3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 692550
(E)-3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 5339096
(E)-N-(2-piperidin-1-ylphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 29292187
N-(2-ethoxyphenyl)-2-quinoxalin-2-ylsulfanylacetamide
CID 34905335
N-(2-propan-2-ylpyrazol-3-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 78772196
(E)-3-(1-benzyltriazol-4-yl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 26691052
[2-(2-ethoxyanilino)-2-oxoethyl] 3-quinolin-2-ylprop-2-enoate
CID 71953117

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-ethoxyphenyl)-3-quinoxalin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(2-ethoxyphenyl)-3-quinoxalin-2-ylprop-2-enamide (CID 17444738) is (E)-N-(2-ethoxyphenyl)-3-quinoxalin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-ethoxyphenyl)-3-quinoxalin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2-ethoxyphenyl)-3-quinoxalin-2-ylprop-2-enamide is CCOc1ccccc1NC(=O)/C=C/c1cnc2ccccc2n1.
What is the InChIKey of (E)-N-(2-ethoxyphenyl)-3-quinoxalin-2-ylprop-2-enamide?
The InChIKey is NGQIZXHSLDGJPH-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-2-24-18-10-6-5-9-17(18)22-19(23)12-11-14-13-20-15-7-3-4-8-16(15)21-14/h3-13H,2H2,1H3,(H,22,23)/b12-11+.
What are the key properties of (E)-N-(2-ethoxyphenyl)-3-quinoxalin-2-ylprop-2-enamide?
(E)-N-(2-ethoxyphenyl)-3-quinoxalin-2-ylprop-2-enamide has a molecular weight of 319.36 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-ethoxyphenyl)-3-quinoxalin-2-ylprop-2-enamide is sourced from PubChem (CID 17444738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).