2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-thiophen-2-ylethanone

C15H16N2OS — CID 63778575

IUPAC2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-thiophen-2-ylethanone
SMILESCN1CCN(CC(=O)c2cccs2)c2ccccc21
InChIInChI=1S/C15H16N2OS/c1-16-8-9-17(13-6-3-2-5-12(13)16)11-14(18)15-7-4-10-19-15/h2-7,10H,8-9,11H2,1H3
InChIKeyOWTVNODEFUNCBS-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.89
Rot. Bonds3

About 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-thiophen-2-ylethanone

2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-thiophen-2-ylethanone (PubChem CID 63778575) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-thiophen-2-ylethanone
PubChem CID63778575
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-thiophen-2-ylethanone
SMILESCN1CCN(CC(=O)c2cccs2)c2ccccc21
InChIInChI=1S/C15H16N2OS/c1-16-8-9-17(13-6-3-2-5-12(13)16)11-14(18)15-7-4-10-19-15/h2-7,10H,8-9,11H2,1H3
InChIKeyOWTVNODEFUNCBS-UHFFFAOYSA-N
XLogP2.89
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-thiophen-2-ylethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 55235951
1-methyl-3-(4-oxo-4-thiophen-2-ylbutyl)imidazolidin-2-one
CID 62491674
1-(3-bromophenyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
CID 63777499
4-bromo-1-(2-oxo-2-thiophen-2-ylethyl)indole-2,3-dione
CID 62025005
2-(2-oxo-2-thiophen-2-ylethyl)-3H-isoindol-1-one
CID 62023811
2-spiro[2,4-dihydroquinoxaline-3,4'-piperidine]-1-yl-1-thiophen-2-ylethanone
CID 83515097
3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one;dihydrochloride
CID 12739150
1-thiophen-2-ylpropan-1-one
CID 26179
2-(2-oxo-2-thiophen-2-ylethyl)isoindole-1,3-dione
CID 7960051
3-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one
CID 94270119
2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-thiophen-2-ylethanone
CID 81198916
2-(4-hydroxy-3-methylpiperidin-1-yl)-1-thiophen-2-ylethanone
CID 114679282

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-thiophen-2-ylethanone (CID 63778575) is 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-thiophen-2-ylethanone is CN1CCN(CC(=O)c2cccs2)c2ccccc21.
What is the InChIKey of 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-thiophen-2-ylethanone?
The InChIKey is OWTVNODEFUNCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-16-8-9-17(13-6-3-2-5-12(13)16)11-14(18)15-7-4-10-19-15/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-thiophen-2-ylethanone?
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-thiophen-2-ylethanone has a molecular weight of 272.37 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-thiophen-2-ylethanone is sourced from PubChem (CID 63778575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).