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

C19H21FN2S — CID 19654794

IUPACN-(2,4-dimethylphenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
SMILESCc1ccc(NC(=S)N2c3ccc(F)cc3CCC2C)c(C)c1
InChIInChI=1S/C19H21FN2S/c1-12-4-8-17(13(2)10-12)21-19(23)22-14(3)5-6-15-11-16(20)7-9-18(15)22/h4,7-11,14H,5-6H2,1-3H3,(H,21,23)
InChIKeyLGMYTSJURSWABX-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.98
Rot. Bonds1

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

N-(2,4-dimethylphenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide (PubChem CID 19654794) has the molecular formula C19H21FN2S and a molecular weight of 328.46 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
PubChem CID19654794
Molecular FormulaC19H21FN2S
Molecular Weight328.46 g/mol
Exact Mass328.14
IUPAC NameN-(2,4-dimethylphenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
SMILESCc1ccc(NC(=S)N2c3ccc(F)cc3CCC2C)c(C)c1
InChIInChI=1S/C19H21FN2S/c1-12-4-8-17(13(2)10-12)21-19(23)22-14(3)5-6-15-11-16(20)7-9-18(15)22/h4,7-11,14H,5-6H2,1-3H3,(H,21,23)
InChIKeyLGMYTSJURSWABX-UHFFFAOYSA-N
XLogP4.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.98
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-difluorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 19654784
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
6-fluoro-2-methyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 4767953
N-[(4-chlorophenyl)methyl]-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 17298702
1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(4-methylphenyl)prop-2-en-1-one
CID 3648502
1-[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]-3-(4-methylphenyl)thiourea
CID 25237642
(2R)-N-(3,4-dichlorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 6991795

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide?
The IUPAC name of N-(2,4-dimethylphenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide (CID 19654794) is N-(2,4-dimethylphenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide is Cc1ccc(NC(=S)N2c3ccc(F)cc3CCC2C)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide?
The InChIKey is LGMYTSJURSWABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2S/c1-12-4-8-17(13(2)10-12)21-19(23)22-14(3)5-6-15-11-16(20)7-9-18(15)22/h4,7-11,14H,5-6H2,1-3H3,(H,21,23).
What are the key properties of N-(2,4-dimethylphenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide?
N-(2,4-dimethylphenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide has a molecular weight of 328.46 g/mol, XLogP of 4.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide is sourced from PubChem (CID 19654794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).