2-(3-methylquinoxalin-2-yl)sulfanyl-1-phenylethanone

C17H14N2OS — CID 5086070

IUPAC2-(3-methylquinoxalin-2-yl)sulfanyl-1-phenylethanone
SMILESCc1nc2ccccc2nc1SCC(=O)c1ccccc1
InChIInChI=1S/C17H14N2OS/c1-12-17(19-15-10-6-5-9-14(15)18-12)21-11-16(20)13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKeyWALPUBAYWYVFIY-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.91
Rot. Bonds4

About 2-(3-methylquinoxalin-2-yl)sulfanyl-1-phenylethanone

2-(3-methylquinoxalin-2-yl)sulfanyl-1-phenylethanone (PubChem CID 5086070) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-(3-methylquinoxalin-2-yl)sulfanyl-1-phenylethanone.

Molecular Properties

Compound Name2-(3-methylquinoxalin-2-yl)sulfanyl-1-phenylethanone
PubChem CID5086070
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name2-(3-methylquinoxalin-2-yl)sulfanyl-1-phenylethanone
SMILESCc1nc2ccccc2nc1SCC(=O)c1ccccc1
InChIInChI=1S/C17H14N2OS/c1-12-17(19-15-10-6-5-9-14(15)18-12)21-11-16(20)13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKeyWALPUBAYWYVFIY-UHFFFAOYSA-N
XLogP3.91
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-methylquinoxalin-2-yl)sulfanyl-1-phenylethanone 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 2-(3-methylquinoxalin-2-yl)sulfanyl-1-phenylethanone?
The IUPAC name of 2-(3-methylquinoxalin-2-yl)sulfanyl-1-phenylethanone (CID 5086070) is 2-(3-methylquinoxalin-2-yl)sulfanyl-1-phenylethanone.
What is the SMILES notation for 2-(3-methylquinoxalin-2-yl)sulfanyl-1-phenylethanone?
The canonical SMILES for 2-(3-methylquinoxalin-2-yl)sulfanyl-1-phenylethanone is Cc1nc2ccccc2nc1SCC(=O)c1ccccc1.
What is the InChIKey of 2-(3-methylquinoxalin-2-yl)sulfanyl-1-phenylethanone?
The InChIKey is WALPUBAYWYVFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-12-17(19-15-10-6-5-9-14(15)18-12)21-11-16(20)13-7-3-2-4-8-13/h2-10H,11H2,1H3.
What are the key properties of 2-(3-methylquinoxalin-2-yl)sulfanyl-1-phenylethanone?
2-(3-methylquinoxalin-2-yl)sulfanyl-1-phenylethanone has a molecular weight of 294.38 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylquinoxalin-2-yl)sulfanyl-1-phenylethanone is sourced from PubChem (CID 5086070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).