2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-N-(1-phenylethyl)ethanethioamide

C20H21FN2OS — CID 3290302

IUPAC2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-N-(1-phenylethyl)ethanethioamide
SMILESCC(NC(=S)C(=O)N1c2ccc(F)cc2CCC1C)c1ccccc1
InChIInChI=1S/C20H21FN2OS/c1-13-8-9-16-12-17(21)10-11-18(16)23(13)20(24)19(25)22-14(2)15-6-4-3-5-7-15/h3-7,10-14H,8-9H2,1-2H3,(H,22,25)
InChIKeyBATUKZFNTMMJER-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.17
Rot. Bonds2

About 2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-N-(1-phenylethyl)ethanethioamide

2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-N-(1-phenylethyl)ethanethioamide (PubChem CID 3290302) has the molecular formula C20H21FN2OS and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-N-(1-phenylethyl)ethanethioamide.

Molecular Properties

Compound Name2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-N-(1-phenylethyl)ethanethioamide
PubChem CID3290302
Molecular FormulaC20H21FN2OS
Molecular Weight356.47 g/mol
Exact Mass356.14
IUPAC Name2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-N-(1-phenylethyl)ethanethioamide
SMILESCC(NC(=S)C(=O)N1c2ccc(F)cc2CCC1C)c1ccccc1
InChIInChI=1S/C20H21FN2OS/c1-13-8-9-16-12-17(21)10-11-18(16)23(13)20(24)19(25)22-14(2)15-6-4-3-5-7-15/h3-7,10-14H,8-9H2,1-2H3,(H,22,25)
InChIKeyBATUKZFNTMMJER-UHFFFAOYSA-N
XLogP4.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-N-(1-phenylethyl)ethanethioamide with MolForge

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Related Compounds

[3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 4200957
N-cyclopropyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 17269034
N-ethyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 19654814
N-(2,4-difluorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 19654784
(2,6-dimethoxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 19685239
(2R)-N-(3,4-dichlorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 6991795
[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone
CID 845075
(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(9H-xanthen-9-yl)methanone
CID 4999106
2-[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 2932548
N-(3,5-dichlorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 19654790
3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazine-2-carboxylic acid
CID 19154792
(3,5-dimethoxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 646590

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-N-(1-phenylethyl)ethanethioamide?
The IUPAC name of 2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-N-(1-phenylethyl)ethanethioamide (CID 3290302) is 2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-N-(1-phenylethyl)ethanethioamide.
What is the SMILES notation for 2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-N-(1-phenylethyl)ethanethioamide?
The canonical SMILES for 2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-N-(1-phenylethyl)ethanethioamide is CC(NC(=S)C(=O)N1c2ccc(F)cc2CCC1C)c1ccccc1.
What is the InChIKey of 2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-N-(1-phenylethyl)ethanethioamide?
The InChIKey is BATUKZFNTMMJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2OS/c1-13-8-9-16-12-17(21)10-11-18(16)23(13)20(24)19(25)22-14(2)15-6-4-3-5-7-15/h3-7,10-14H,8-9H2,1-2H3,(H,22,25).
What are the key properties of 2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-N-(1-phenylethyl)ethanethioamide?
2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-N-(1-phenylethyl)ethanethioamide has a molecular weight of 356.47 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-N-(1-phenylethyl)ethanethioamide is sourced from PubChem (CID 3290302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).