N-(2,4-difluorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide

C17H15F3N2S — CID 19654784

IUPACN-(2,4-difluorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
SMILESCC1CCc2cc(F)ccc2N1C(=S)Nc1ccc(F)cc1F
InChIInChI=1S/C17H15F3N2S/c1-10-2-3-11-8-12(18)5-7-16(11)22(10)17(23)21-15-6-4-13(19)9-14(15)20/h4-10H,2-3H2,1H3,(H,21,23)
InChIKeyYXNKCUUAXJYYKZ-UHFFFAOYSA-N
MW336.38 g/mol
LogP4.64
Rot. Bonds1

About N-(2,4-difluorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide

N-(2,4-difluorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide (PubChem CID 19654784) has the molecular formula C17H15F3N2S and a molecular weight of 336.38 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
PubChem CID19654784
Molecular FormulaC17H15F3N2S
Molecular Weight336.38 g/mol
Exact Mass336.09
IUPAC NameN-(2,4-difluorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
SMILESCC1CCc2cc(F)ccc2N1C(=S)Nc1ccc(F)cc1F
InChIInChI=1S/C17H15F3N2S/c1-10-2-3-11-8-12(18)5-7-16(11)22(10)17(23)21-15-6-4-13(19)9-14(15)20/h4-10H,2-3H2,1H3,(H,21,23)
InChIKeyYXNKCUUAXJYYKZ-UHFFFAOYSA-N
XLogP4.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethylphenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 19654794
N-cyclopropyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 17269034
N-(3,5-dichlorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 19654790
N-(4-ethylphenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 19654779
N-ethyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 19654814
6-fluoro-N-(4-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 17284495
N-(3-ethylphenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 71821626
N-[(4-chlorophenyl)methyl]-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 17298702
6-fluoro-2-methyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 4767953
N-(2,4-difluorophenyl)-2,6-dimethylmorpholine-4-carbothioamide
CID 2957705
[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
(2,5-dichlorophenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 4181075

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide?
The IUPAC name of N-(2,4-difluorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide (CID 19654784) is N-(2,4-difluorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide?
The canonical SMILES for N-(2,4-difluorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide is CC1CCc2cc(F)ccc2N1C(=S)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide?
The InChIKey is YXNKCUUAXJYYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2S/c1-10-2-3-11-8-12(18)5-7-16(11)22(10)17(23)21-15-6-4-13(19)9-14(15)20/h4-10H,2-3H2,1H3,(H,21,23).
What are the key properties of N-(2,4-difluorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide?
N-(2,4-difluorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide has a molecular weight of 336.38 g/mol, XLogP of 4.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide is sourced from PubChem (CID 19654784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).