1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-(oxolan-2-ylmethoxy)propan-1-one

C18H25NO5S — CID 55872668

IUPAC1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-(oxolan-2-ylmethoxy)propan-1-one
SMILESCS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CCOCC1CCCO1
InChIInChI=1S/C18H25NO5S/c1-25(21,22)16-6-7-17-14(12-16)4-2-9-19(17)18(20)8-11-23-13-15-5-3-10-24-15/h6-7,12,15H,2-5,8-11,13H2,1H3
InChIKeyPXUJCTDALIKEJO-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.96
Rot. Bonds6

About 1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-(oxolan-2-ylmethoxy)propan-1-one

1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-(oxolan-2-ylmethoxy)propan-1-one (PubChem CID 55872668) has the molecular formula C18H25NO5S and a molecular weight of 367.47 g/mol. Its IUPAC name is 1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-(oxolan-2-ylmethoxy)propan-1-one.

Molecular Properties

Compound Name1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-(oxolan-2-ylmethoxy)propan-1-one
PubChem CID55872668
Molecular FormulaC18H25NO5S
Molecular Weight367.47 g/mol
Exact Mass367.15
IUPAC Name1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-(oxolan-2-ylmethoxy)propan-1-one
SMILESCS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CCOCC1CCCO1
InChIInChI=1S/C18H25NO5S/c1-25(21,22)16-6-7-17-14(12-16)4-2-9-19(17)18(20)8-11-23-13-15-5-3-10-24-15/h6-7,12,15H,2-5,8-11,13H2,1H3
InChIKeyPXUJCTDALIKEJO-UHFFFAOYSA-N
XLogP1.96
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-1-[4-(oxolan-2-ylmethoxy)benzoyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435482
4-oxo-4-[5-(oxolan-2-ylmethylsulfamoyl)-2,3-dihydroindol-1-yl]butanoic acid
CID 20864301
1-(4-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 29148959
3-(3,4-difluorophenyl)-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 55872667
1-[2-(oxolan-2-yl)acetyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 167985111
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 55873952
1-butanoyl-3,4-dihydro-2H-quinoline-6-sulfonyl chloride
CID 82021448
1-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 110604959
2-[2-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 55661378
3-(oxolan-2-ylmethoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55753164
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 55661323
1-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111560189

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-(oxolan-2-ylmethoxy)propan-1-one?
The IUPAC name of 1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-(oxolan-2-ylmethoxy)propan-1-one (CID 55872668) is 1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-(oxolan-2-ylmethoxy)propan-1-one.
What is the SMILES notation for 1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-(oxolan-2-ylmethoxy)propan-1-one?
The canonical SMILES for 1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-(oxolan-2-ylmethoxy)propan-1-one is CS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CCOCC1CCCO1.
What is the InChIKey of 1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-(oxolan-2-ylmethoxy)propan-1-one?
The InChIKey is PXUJCTDALIKEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5S/c1-25(21,22)16-6-7-17-14(12-16)4-2-9-19(17)18(20)8-11-23-13-15-5-3-10-24-15/h6-7,12,15H,2-5,8-11,13H2,1H3.
What are the key properties of 1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-(oxolan-2-ylmethoxy)propan-1-one?
1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-(oxolan-2-ylmethoxy)propan-1-one has a molecular weight of 367.47 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-(oxolan-2-ylmethoxy)propan-1-one is sourced from PubChem (CID 55872668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).