1-quinolin-3-yl-2-thiomorpholin-3-ylethanone

C15H16N2OS — CID 116586477

IUPAC1-quinolin-3-yl-2-thiomorpholin-3-ylethanone
SMILESO=C(CC1CSCCN1)c1cnc2ccccc2c1
InChIInChI=1S/C15H16N2OS/c18-15(8-13-10-19-6-5-16-13)12-7-11-3-1-2-4-14(11)17-9-12/h1-4,7,9,13,16H,5-6,8,10H2
InChIKeyNDDLRESRNFQCJA-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.51
Rot. Bonds3

About 1-quinolin-3-yl-2-thiomorpholin-3-ylethanone

1-quinolin-3-yl-2-thiomorpholin-3-ylethanone (PubChem CID 116586477) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-quinolin-3-yl-2-thiomorpholin-3-ylethanone.

Molecular Properties

Compound Name1-quinolin-3-yl-2-thiomorpholin-3-ylethanone
PubChem CID116586477
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name1-quinolin-3-yl-2-thiomorpholin-3-ylethanone
SMILESO=C(CC1CSCCN1)c1cnc2ccccc2c1
InChIInChI=1S/C15H16N2OS/c18-15(8-13-10-19-6-5-16-13)12-7-11-3-1-2-4-14(11)17-9-12/h1-4,7,9,13,16H,5-6,8,10H2
InChIKeyNDDLRESRNFQCJA-UHFFFAOYSA-N
XLogP2.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperidin-4-yl-1-quinolin-3-ylethanone
CID 116559840
1-(3-phenyltriazol-4-yl)-2-thiomorpholin-3-ylethanone
CID 114692152
1-(4-tert-butylphenyl)-2-thiomorpholin-3-ylethanone
CID 116586667
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-quinolin-3-ylethanone
CID 116588254
1-(3-propylphenyl)-2-thiomorpholin-3-ylethanone
CID 116586592
1-(furan-2-yl)-2-thiomorpholin-3-ylethanone
CID 116586671
3-piperidin-4-yl-1-quinolin-3-ylpropan-1-one
CID 116563315
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiomorpholin-3-ylethanone
CID 116586568
3,3-dimethyl-1-quinolin-3-ylbutan-1-one
CID 63892352
1-(5-methylthiophen-2-yl)-2-thiomorpholin-3-ylethanone
CID 116586505
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941556
quinoline-3-carboxylate
CID 4608508

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-3-yl-2-thiomorpholin-3-ylethanone?
The IUPAC name of 1-quinolin-3-yl-2-thiomorpholin-3-ylethanone (CID 116586477) is 1-quinolin-3-yl-2-thiomorpholin-3-ylethanone.
What is the SMILES notation for 1-quinolin-3-yl-2-thiomorpholin-3-ylethanone?
The canonical SMILES for 1-quinolin-3-yl-2-thiomorpholin-3-ylethanone is O=C(CC1CSCCN1)c1cnc2ccccc2c1.
What is the InChIKey of 1-quinolin-3-yl-2-thiomorpholin-3-ylethanone?
The InChIKey is NDDLRESRNFQCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c18-15(8-13-10-19-6-5-16-13)12-7-11-3-1-2-4-14(11)17-9-12/h1-4,7,9,13,16H,5-6,8,10H2.
What are the key properties of 1-quinolin-3-yl-2-thiomorpholin-3-ylethanone?
1-quinolin-3-yl-2-thiomorpholin-3-ylethanone has a molecular weight of 272.37 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-3-yl-2-thiomorpholin-3-ylethanone is sourced from PubChem (CID 116586477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).