3-methyl-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-1-carbothioamide

C15H22N2S — CID 115612179

IUPAC3-methyl-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-1-carbothioamide
SMILESCC(C)CNC(=S)N1CC(C)Cc2ccccc21
InChIInChI=1S/C15H22N2S/c1-11(2)9-16-15(18)17-10-12(3)8-13-6-4-5-7-14(13)17/h4-7,11-12H,8-10H2,1-3H3,(H,16,18)
InChIKeyDEGUQTVAKJMCQZ-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.22
Rot. Bonds2

About 3-methyl-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-1-carbothioamide

3-methyl-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-1-carbothioamide (PubChem CID 115612179) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-1-carbothioamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-1-carbothioamide
PubChem CID115612179
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name3-methyl-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-1-carbothioamide
SMILESCC(C)CNC(=S)N1CC(C)Cc2ccccc21
InChIInChI=1S/C15H22N2S/c1-11(2)9-16-15(18)17-10-12(3)8-13-6-4-5-7-14(13)17/h4-7,11-12H,8-10H2,1-3H3,(H,16,18)
InChIKeyDEGUQTVAKJMCQZ-UHFFFAOYSA-N
XLogP3.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.22
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-methylpropyl)-2,3-dihydroindole-1-carbothioamide
CID 19686661
3-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 115612180
N-cyclohexyl-3-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 116508561
2-(methylamino)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63522299
2-methyl-2-(methylamino)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 55195653
(2R)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride
CID 119319569
3-methyl-N-prop-2-ynyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 86768829
2-hydroxy-4-[(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid
CID 107839949
2-amino-3-methyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 63522833
N-(2-chloropropanoyl)-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 63548864
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 63404059
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-(2-methylpropyl)-3,4-dihydro-2H-quinoline-1-carbothioamide?
The IUPAC name of 3-methyl-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-1-carbothioamide (CID 115612179) is 3-methyl-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-1-carbothioamide.
What is the SMILES notation for 3-methyl-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-1-carbothioamide?
The canonical SMILES for 3-methyl-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-1-carbothioamide is CC(C)CNC(=S)N1CC(C)Cc2ccccc21.
What is the InChIKey of 3-methyl-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-1-carbothioamide?
The InChIKey is DEGUQTVAKJMCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-11(2)9-16-15(18)17-10-12(3)8-13-6-4-5-7-14(13)17/h4-7,11-12H,8-10H2,1-3H3,(H,16,18).
What are the key properties of 3-methyl-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-1-carbothioamide?
3-methyl-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-1-carbothioamide has a molecular weight of 262.42 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-1-carbothioamide is sourced from PubChem (CID 115612179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).