(E)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-quinoxalin-2-ylprop-2-enamide

C22H20N4O2 — CID 27172047

IUPAC(E)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-quinoxalin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cnc2ccccc2n1)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H20N4O2/c27-21(12-9-17-15-23-19-4-1-2-5-20(19)25-17)24-14-16-7-10-18(11-8-16)26-13-3-6-22(26)28/h1-2,4-5,7-12,15H,3,6,13-14H2,(H,24,27)/b12-9+
InChIKeyZFPMVGYKJATMEZ-FMIVXFBMSA-N
MW372.43 g/mol
LogP3.09
Rot. Bonds5

About (E)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-quinoxalin-2-ylprop-2-enamide

(E)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-quinoxalin-2-ylprop-2-enamide (PubChem CID 27172047) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is (E)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-quinoxalin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-quinoxalin-2-ylprop-2-enamide
PubChem CID27172047
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name(E)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-quinoxalin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cnc2ccccc2n1)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H20N4O2/c27-21(12-9-17-15-23-19-4-1-2-5-20(19)25-17)24-14-16-7-10-18(11-8-16)26-13-3-6-22(26)28/h1-2,4-5,7-12,15H,3,6,13-14H2,(H,24,27)/b12-9+
InChIKeyZFPMVGYKJATMEZ-FMIVXFBMSA-N
XLogP3.09
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.09
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)-3-(2,6-dichlorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide
CID 8589365
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide
CID 46616368
(E)-3-(5-methylthiophen-2-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide
CID 8589449
(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide
CID 39002604
methyl 4-[[[(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]amino]methyl]benzoate
CID 17438984
(E)-3-(4-nitrophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide
CID 26709613
2-(benzotriazol-2-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 91764346
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide
CID 8588320
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51239198
N-prop-2-enyl-3-quinoxalin-2-ylprop-2-enamide
CID 4883206
N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-2-phenylacetamide
CID 70004760

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-quinoxalin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-quinoxalin-2-ylprop-2-enamide (CID 27172047) is (E)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-quinoxalin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-quinoxalin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-quinoxalin-2-ylprop-2-enamide is O=C(/C=C/c1cnc2ccccc2n1)NCc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of (E)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-quinoxalin-2-ylprop-2-enamide?
The InChIKey is ZFPMVGYKJATMEZ-FMIVXFBMSA-N. The full InChI is InChI=1S/C22H20N4O2/c27-21(12-9-17-15-23-19-4-1-2-5-20(19)25-17)24-14-16-7-10-18(11-8-16)26-13-3-6-22(26)28/h1-2,4-5,7-12,15H,3,6,13-14H2,(H,24,27)/b12-9+.
What are the key properties of (E)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-quinoxalin-2-ylprop-2-enamide?
(E)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-quinoxalin-2-ylprop-2-enamide has a molecular weight of 372.43 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-quinoxalin-2-ylprop-2-enamide is sourced from PubChem (CID 27172047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).