1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylphenyl)sulfanylethanone

C18H18FNOS — CID 134052350

IUPAC1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylphenyl)sulfanylethanone
SMILESCc1ccc(SCC(=O)N2CCCc3cccc(F)c32)cc1
InChIInChI=1S/C18H18FNOS/c1-13-7-9-15(10-8-13)22-12-17(21)20-11-3-5-14-4-2-6-16(19)18(14)20/h2,4,6-10H,3,5,11-12H2,1H3
InChIKeyGSVUYWHYNMVCQI-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.21
Rot. Bonds3

About 1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylphenyl)sulfanylethanone

1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylphenyl)sulfanylethanone (PubChem CID 134052350) has the molecular formula C18H18FNOS and a molecular weight of 315.41 g/mol. Its IUPAC name is 1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylphenyl)sulfanylethanone
PubChem CID134052350
Molecular FormulaC18H18FNOS
Molecular Weight315.41 g/mol
Exact Mass315.11
IUPAC Name1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylphenyl)sulfanylethanone
SMILESCc1ccc(SCC(=O)N2CCCc3cccc(F)c32)cc1
InChIInChI=1S/C18H18FNOS/c1-13-7-9-15(10-8-13)22-12-17(21)20-11-3-5-14-4-2-6-16(19)18(14)20/h2,4,6-10H,3,5,11-12H2,1H3
InChIKeyGSVUYWHYNMVCQI-UHFFFAOYSA-N
XLogP4.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylphenyl)sulfanylethanone 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

N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylphenyl]-2-fluorobenzamide
CID 22777398
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylsulfanylethanone
CID 3476595
(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 134002037
2-[(4,5-dimethyl-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 24900710
2-[(3-hydroxy-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 143644946
6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 24900640
5-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
CID 110744007
1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 60704653
N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 19631179
2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 60721467
2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 25337551
(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 78843598

Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylphenyl)sulfanylethanone?
The IUPAC name of 1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylphenyl)sulfanylethanone (CID 134052350) is 1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylphenyl)sulfanylethanone.
What is the SMILES notation for 1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylphenyl)sulfanylethanone?
The canonical SMILES for 1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylphenyl)sulfanylethanone is Cc1ccc(SCC(=O)N2CCCc3cccc(F)c32)cc1.
What is the InChIKey of 1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylphenyl)sulfanylethanone?
The InChIKey is GSVUYWHYNMVCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNOS/c1-13-7-9-15(10-8-13)22-12-17(21)20-11-3-5-14-4-2-6-16(19)18(14)20/h2,4,6-10H,3,5,11-12H2,1H3.
What are the key properties of 1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylphenyl)sulfanylethanone?
1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylphenyl)sulfanylethanone has a molecular weight of 315.41 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylphenyl)sulfanylethanone is sourced from PubChem (CID 134052350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).