1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methylphenyl)methylsulfanyl]ethanone

C19H20FNOS — CID 60555290

IUPAC1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methylphenyl)methylsulfanyl]ethanone
SMILESCc1ccc(CSCC(=O)N2CCCc3cc(F)ccc32)cc1
InChIInChI=1S/C19H20FNOS/c1-14-4-6-15(7-5-14)12-23-13-19(22)21-10-2-3-16-11-17(20)8-9-18(16)21/h4-9,11H,2-3,10,12-13H2,1H3
InChIKeyLZIAEDOEOAVXEX-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.35
Rot. Bonds4

About 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methylphenyl)methylsulfanyl]ethanone

1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methylphenyl)methylsulfanyl]ethanone (PubChem CID 60555290) has the molecular formula C19H20FNOS and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methylphenyl)methylsulfanyl]ethanone.

Molecular Properties

Compound Name1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methylphenyl)methylsulfanyl]ethanone
PubChem CID60555290
Molecular FormulaC19H20FNOS
Molecular Weight329.44 g/mol
Exact Mass329.12
IUPAC Name1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methylphenyl)methylsulfanyl]ethanone
SMILESCc1ccc(CSCC(=O)N2CCCc3cc(F)ccc32)cc1
InChIInChI=1S/C19H20FNOS/c1-14-4-6-15(7-5-14)12-23-13-19(22)21-10-2-3-16-11-17(20)8-9-18(16)21/h4-9,11H,2-3,10,12-13H2,1H3
InChIKeyLZIAEDOEOAVXEX-UHFFFAOYSA-N
XLogP4.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methylphenyl)methylsulfanyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 34225384
2-tert-butylsulfanyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 112762105
2-(4-fluorophenoxy)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 112762093
1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-4-(methylamino)butan-1-one;hydrochloride
CID 119718833
N-(4-methylphenyl)-2-[2-oxo-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethyl]sulfanylacetamide
CID 55671719
tert-butyl 6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 14175818
(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone
CID 47168679
1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(2-fluorophenoxy)ethanone
CID 110714230
(2-amino-4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63109770
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 78776221
1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone
CID 55614499
1-(2,3-dihydroindol-1-yl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]ethanone
CID 110006989

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methylphenyl)methylsulfanyl]ethanone?
The IUPAC name of 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methylphenyl)methylsulfanyl]ethanone (CID 60555290) is 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methylphenyl)methylsulfanyl]ethanone.
What is the SMILES notation for 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methylphenyl)methylsulfanyl]ethanone?
The canonical SMILES for 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methylphenyl)methylsulfanyl]ethanone is Cc1ccc(CSCC(=O)N2CCCc3cc(F)ccc32)cc1.
What is the InChIKey of 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methylphenyl)methylsulfanyl]ethanone?
The InChIKey is LZIAEDOEOAVXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNOS/c1-14-4-6-15(7-5-14)12-23-13-19(22)21-10-2-3-16-11-17(20)8-9-18(16)21/h4-9,11H,2-3,10,12-13H2,1H3.
What are the key properties of 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methylphenyl)methylsulfanyl]ethanone?
1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methylphenyl)methylsulfanyl]ethanone has a molecular weight of 329.44 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methylphenyl)methylsulfanyl]ethanone is sourced from PubChem (CID 60555290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).