3-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carbothioamide

C17H18N2S — CID 115612180

IUPAC3-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carbothioamide
SMILESCC1Cc2ccccc2N(C(=S)Nc2ccccc2)C1
InChIInChI=1S/C17H18N2S/c1-13-11-14-7-5-6-10-16(14)19(12-13)17(20)18-15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3,(H,18,20)
InChIKeyNVZPDILVQARKAQ-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.08
Rot. Bonds1

About 3-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carbothioamide

3-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carbothioamide (PubChem CID 115612180) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carbothioamide.

Molecular Properties

Compound Name3-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carbothioamide
PubChem CID115612180
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name3-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carbothioamide
SMILESCC1Cc2ccccc2N(C(=S)Nc2ccccc2)C1
InChIInChI=1S/C17H18N2S/c1-13-11-14-7-5-6-10-16(14)19(12-13)17(20)18-15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3,(H,18,20)
InChIKeyNVZPDILVQARKAQ-UHFFFAOYSA-N
XLogP4.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.08
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-cyclohexyl-3-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 116508561
3-methyl-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 115612179
2-anilino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride
CID 119776726
2-methyl-2-(methylamino)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 55195653
(3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline
CID 40526138
N',3-dimethyl-3,4-dihydro-2H-quinoline-1-carboximidamide
CID 63489252
N-tert-butyl-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110662911
2-methyl-N-(3-methylphenyl)-2,3-dihydroindole-1-carbothioamide
CID 19686679
2-amino-3-methyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 63522833
cyclopentyl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanimine
CID 55225246
2-(methylamino)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63522299
3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63466515

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carbothioamide?
The IUPAC name of 3-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carbothioamide (CID 115612180) is 3-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carbothioamide.
What is the SMILES notation for 3-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carbothioamide?
The canonical SMILES for 3-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carbothioamide is CC1Cc2ccccc2N(C(=S)Nc2ccccc2)C1.
What is the InChIKey of 3-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carbothioamide?
The InChIKey is NVZPDILVQARKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-13-11-14-7-5-6-10-16(14)19(12-13)17(20)18-15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3,(H,18,20).
What are the key properties of 3-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carbothioamide?
3-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carbothioamide has a molecular weight of 282.41 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carbothioamide is sourced from PubChem (CID 115612180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).