N-[4-[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]phenyl]acetamide

C18H15N3O2 — CID 9270083

IUPACN-[4-[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/c2nc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C18H15N3O2/c1-12(22)19-14-9-6-13(7-10-14)8-11-17-18(23)21-16-5-3-2-4-15(16)20-17/h2-11H,1H3,(H,19,22)(H,21,23)/b11-8+
InChIKeyZOAWCNDKGLFZNA-DHZHZOJOSA-N
MW305.34 g/mol
LogP3.05
Rot. Bonds3

About N-[4-[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]phenyl]acetamide

N-[4-[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]phenyl]acetamide (PubChem CID 9270083) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[4-[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]phenyl]acetamide
PubChem CID9270083
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN-[4-[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/c2nc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C18H15N3O2/c1-12(22)19-14-9-6-13(7-10-14)8-11-17-18(23)21-16-5-3-2-4-15(16)20-17/h2-11H,1H3,(H,19,22)(H,21,23)/b11-8+
InChIKeyZOAWCNDKGLFZNA-DHZHZOJOSA-N
XLogP3.05
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]phenyl]acetamide?
The IUPAC name of N-[4-[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]phenyl]acetamide (CID 9270083) is N-[4-[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]phenyl]acetamide is CC(=O)Nc1ccc(/C=C/c2nc3ccccc3[nH]c2=O)cc1.
What is the InChIKey of N-[4-[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]phenyl]acetamide?
The InChIKey is ZOAWCNDKGLFZNA-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-12(22)19-14-9-6-13(7-10-14)8-11-17-18(23)21-16-5-3-2-4-15(16)20-17/h2-11H,1H3,(H,19,22)(H,21,23)/b11-8+.
What are the key properties of N-[4-[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]phenyl]acetamide?
N-[4-[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]phenyl]acetamide has a molecular weight of 305.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]phenyl]acetamide is sourced from PubChem (CID 9270083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).