2-(3-methylquinoxalin-2-yl)sulfanyl-1-morpholin-4-ylethanone

C15H17N3O2S — CID 3393792

IUPAC2-(3-methylquinoxalin-2-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESCc1nc2ccccc2nc1SCC(=O)N1CCOCC1
InChIInChI=1S/C15H17N3O2S/c1-11-15(17-13-5-3-2-4-12(13)16-11)21-10-14(19)18-6-8-20-9-7-18/h2-5H,6-10H2,1H3
InChIKeyNHLDXCZYUCQXHM-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.89
Rot. Bonds3

About 2-(3-methylquinoxalin-2-yl)sulfanyl-1-morpholin-4-ylethanone

2-(3-methylquinoxalin-2-yl)sulfanyl-1-morpholin-4-ylethanone (PubChem CID 3393792) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-(3-methylquinoxalin-2-yl)sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(3-methylquinoxalin-2-yl)sulfanyl-1-morpholin-4-ylethanone
PubChem CID3393792
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-(3-methylquinoxalin-2-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESCc1nc2ccccc2nc1SCC(=O)N1CCOCC1
InChIInChI=1S/C15H17N3O2S/c1-11-15(17-13-5-3-2-4-12(13)16-11)21-10-14(19)18-6-8-20-9-7-18/h2-5H,6-10H2,1H3
InChIKeyNHLDXCZYUCQXHM-UHFFFAOYSA-N
XLogP1.89
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-methylquinoxalin-2-yl)sulfanyl-1-morpholin-4-ylethanone 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-morpholin-4-ylethanone?
The IUPAC name of 2-(3-methylquinoxalin-2-yl)sulfanyl-1-morpholin-4-ylethanone (CID 3393792) is 2-(3-methylquinoxalin-2-yl)sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(3-methylquinoxalin-2-yl)sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(3-methylquinoxalin-2-yl)sulfanyl-1-morpholin-4-ylethanone is Cc1nc2ccccc2nc1SCC(=O)N1CCOCC1.
What is the InChIKey of 2-(3-methylquinoxalin-2-yl)sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is NHLDXCZYUCQXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-11-15(17-13-5-3-2-4-12(13)16-11)21-10-14(19)18-6-8-20-9-7-18/h2-5H,6-10H2,1H3.
What are the key properties of 2-(3-methylquinoxalin-2-yl)sulfanyl-1-morpholin-4-ylethanone?
2-(3-methylquinoxalin-2-yl)sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 303.39 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylquinoxalin-2-yl)sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 3393792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).