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

C18H19FN2OS — CID 17284495

IUPAC6-fluoro-N-(4-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
SMILESCOc1ccc(NC(=S)N2c3ccc(F)cc3CCC2C)cc1
InChIInChI=1S/C18H19FN2OS/c1-12-3-4-13-11-14(19)5-10-17(13)21(12)18(23)20-15-6-8-16(22-2)9-7-15/h5-12H,3-4H2,1-2H3,(H,20,23)
InChIKeyXNZPMPOSUCIEBT-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.37
Rot. Bonds2

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

6-fluoro-N-(4-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide (PubChem CID 17284495) has the molecular formula C18H19FN2OS and a molecular weight of 330.43 g/mol. Its IUPAC name is 6-fluoro-N-(4-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide.

Molecular Properties

Compound Name6-fluoro-N-(4-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
PubChem CID17284495
Molecular FormulaC18H19FN2OS
Molecular Weight330.43 g/mol
Exact Mass330.12
IUPAC Name6-fluoro-N-(4-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
SMILESCOc1ccc(NC(=S)N2c3ccc(F)cc3CCC2C)cc1
InChIInChI=1S/C18H19FN2OS/c1-12-3-4-13-11-14(19)5-10-17(13)21(12)18(23)20-15-6-8-16(22-2)9-7-15/h5-12H,3-4H2,1-2H3,(H,20,23)
InChIKeyXNZPMPOSUCIEBT-UHFFFAOYSA-N
XLogP4.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-fluoro-N-(4-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide?
The IUPAC name of 6-fluoro-N-(4-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide (CID 17284495) is 6-fluoro-N-(4-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide.
What is the SMILES notation for 6-fluoro-N-(4-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide?
The canonical SMILES for 6-fluoro-N-(4-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide is COc1ccc(NC(=S)N2c3ccc(F)cc3CCC2C)cc1.
What is the InChIKey of 6-fluoro-N-(4-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide?
The InChIKey is XNZPMPOSUCIEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2OS/c1-12-3-4-13-11-14(19)5-10-17(13)21(12)18(23)20-15-6-8-16(22-2)9-7-15/h5-12H,3-4H2,1-2H3,(H,20,23).
What are the key properties of 6-fluoro-N-(4-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide?
6-fluoro-N-(4-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide has a molecular weight of 330.43 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(4-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide is sourced from PubChem (CID 17284495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).