(E)-N-(cyanomethyl)-N-ethyl-3-quinoxalin-2-ylprop-2-enamide

C15H14N4O — CID 75418095

IUPAC(E)-N-(cyanomethyl)-N-ethyl-3-quinoxalin-2-ylprop-2-enamide
SMILESCCN(CC#N)C(=O)/C=C/c1cnc2ccccc2n1
InChIInChI=1S/C15H14N4O/c1-2-19(10-9-16)15(20)8-7-12-11-17-13-5-3-4-6-14(13)18-12/h3-8,11H,2,10H2,1H3/b8-7+
InChIKeyIVXWKYFGAXVXMD-BQYQJAHWSA-N
MW266.30 g/mol
LogP2.02
Rot. Bonds4

About (E)-N-(cyanomethyl)-N-ethyl-3-quinoxalin-2-ylprop-2-enamide

(E)-N-(cyanomethyl)-N-ethyl-3-quinoxalin-2-ylprop-2-enamide (PubChem CID 75418095) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is (E)-N-(cyanomethyl)-N-ethyl-3-quinoxalin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(cyanomethyl)-N-ethyl-3-quinoxalin-2-ylprop-2-enamide
PubChem CID75418095
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name(E)-N-(cyanomethyl)-N-ethyl-3-quinoxalin-2-ylprop-2-enamide
SMILESCCN(CC#N)C(=O)/C=C/c1cnc2ccccc2n1
InChIInChI=1S/C15H14N4O/c1-2-19(10-9-16)15(20)8-7-12-11-17-13-5-3-4-6-14(13)18-12/h3-8,11H,2,10H2,1H3/b8-7+
InChIKeyIVXWKYFGAXVXMD-BQYQJAHWSA-N
XLogP2.02
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide
CID 71847025
(E)-N,N-diethyl-3-quinolin-2-ylprop-2-enamide
CID 110486560
[2-[benzyl(ethyl)amino]-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate
CID 18270385
(E)-N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-quinoxalin-2-ylprop-2-enamide
CID 26622306
(E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide
CID 29292325
(E)-N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-quinoxalin-2-ylprop-2-enamide
CID 35593693
(E)-N-(1-hydroxypropan-2-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 78857543
(E)-N-(2-methylbutan-2-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 2447060
(E)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-quinoxalin-2-ylprop-2-enamide
CID 56817914
(E)-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide
CID 34075733
(Z)-N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-quinoxalin-2-ylprop-2-enamide
CID 98662400
(E)-N-(2-ethoxyphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 17444738

Frequently Asked Questions

What is the IUPAC name of (E)-N-(cyanomethyl)-N-ethyl-3-quinoxalin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(cyanomethyl)-N-ethyl-3-quinoxalin-2-ylprop-2-enamide (CID 75418095) is (E)-N-(cyanomethyl)-N-ethyl-3-quinoxalin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(cyanomethyl)-N-ethyl-3-quinoxalin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(cyanomethyl)-N-ethyl-3-quinoxalin-2-ylprop-2-enamide is CCN(CC#N)C(=O)/C=C/c1cnc2ccccc2n1.
What is the InChIKey of (E)-N-(cyanomethyl)-N-ethyl-3-quinoxalin-2-ylprop-2-enamide?
The InChIKey is IVXWKYFGAXVXMD-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H14N4O/c1-2-19(10-9-16)15(20)8-7-12-11-17-13-5-3-4-6-14(13)18-12/h3-8,11H,2,10H2,1H3/b8-7+.
What are the key properties of (E)-N-(cyanomethyl)-N-ethyl-3-quinoxalin-2-ylprop-2-enamide?
(E)-N-(cyanomethyl)-N-ethyl-3-quinoxalin-2-ylprop-2-enamide has a molecular weight of 266.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(cyanomethyl)-N-ethyl-3-quinoxalin-2-ylprop-2-enamide is sourced from PubChem (CID 75418095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).