2-(3-methylquinoxalin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one

C16H19N3O2S — CID 42885788

IUPAC2-(3-methylquinoxalin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
SMILESCc1nc2ccccc2nc1SC(C)C(=O)N1CCOCC1
InChIInChI=1S/C16H19N3O2S/c1-11-15(18-14-6-4-3-5-13(14)17-11)22-12(2)16(20)19-7-9-21-10-8-19/h3-6,12H,7-10H2,1-2H3
InChIKeyZDMPIEDGUIERMP-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.28
Rot. Bonds3

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

2-(3-methylquinoxalin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one (PubChem CID 42885788) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-(3-methylquinoxalin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-(3-methylquinoxalin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
PubChem CID42885788
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name2-(3-methylquinoxalin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
SMILESCc1nc2ccccc2nc1SC(C)C(=O)N1CCOCC1
InChIInChI=1S/C16H19N3O2S/c1-11-15(18-14-6-4-3-5-13(14)17-11)22-12(2)16(20)19-7-9-21-10-8-19/h3-6,12H,7-10H2,1-2H3
InChIKeyZDMPIEDGUIERMP-UHFFFAOYSA-N
XLogP2.28
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylquinoxalin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-(3-methylquinoxalin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one (CID 42885788) is 2-(3-methylquinoxalin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-(3-methylquinoxalin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-(3-methylquinoxalin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one is Cc1nc2ccccc2nc1SC(C)C(=O)N1CCOCC1.
What is the InChIKey of 2-(3-methylquinoxalin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one?
The InChIKey is ZDMPIEDGUIERMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-11-15(18-14-6-4-3-5-13(14)17-11)22-12(2)16(20)19-7-9-21-10-8-19/h3-6,12H,7-10H2,1-2H3.
What are the key properties of 2-(3-methylquinoxalin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one?
2-(3-methylquinoxalin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one has a molecular weight of 317.41 g/mol, XLogP of 2.28, 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-ylpropan-1-one is sourced from PubChem (CID 42885788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).