5,7-dimethyl-3-(4-methylphenyl)-1H-quinoline-2-thione

C18H17NS — CID 21135872

IUPAC5,7-dimethyl-3-(4-methylphenyl)-1H-quinoline-2-thione
SMILESCc1ccc(-c2cc3c(C)cc(C)cc3[nH]c2=S)cc1
InChIInChI=1S/C18H17NS/c1-11-4-6-14(7-5-11)16-10-15-13(3)8-12(2)9-17(15)19-18(16)20/h4-10H,1-3H3,(H,19,20)
InChIKeyQSTKJMOAIFYFKA-UHFFFAOYSA-N
MW279.41 g/mol
LogP5.49
Rot. Bonds1

About 5,7-dimethyl-3-(4-methylphenyl)-1H-quinoline-2-thione

5,7-dimethyl-3-(4-methylphenyl)-1H-quinoline-2-thione (PubChem CID 21135872) has the molecular formula C18H17NS and a molecular weight of 279.41 g/mol. Its IUPAC name is 5,7-dimethyl-3-(4-methylphenyl)-1H-quinoline-2-thione.

Molecular Properties

Compound Name5,7-dimethyl-3-(4-methylphenyl)-1H-quinoline-2-thione
PubChem CID21135872
Molecular FormulaC18H17NS
Molecular Weight279.41 g/mol
Exact Mass279.11
IUPAC Name5,7-dimethyl-3-(4-methylphenyl)-1H-quinoline-2-thione
SMILESCc1ccc(-c2cc3c(C)cc(C)cc3[nH]c2=S)cc1
InChIInChI=1S/C18H17NS/c1-11-4-6-14(7-5-11)16-10-15-13(3)8-12(2)9-17(15)19-18(16)20/h4-10H,1-3H3,(H,19,20)
InChIKeyQSTKJMOAIFYFKA-UHFFFAOYSA-N
XLogP5.49
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.41
LogP ≤ 55.49
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

5,7-dimethyl-3-(4-methylphenyl)-1H-quinolin-2-one
CID 21135871
6,8-dimethyl-1H-1-benzazepine-2,3-dione
CID 23354339
6-(4-chlorophenyl)-7-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 59487927
1,3-dimethyl-7-(4-methylphenyl)naphthalene
CID 160612509
1-(4-bromophenyl)-2,4-dimethylbenzene
CID 83659015
4,6,8-trimethyl-1H-quinoline-2-thione
CID 2442311
3-amino-7-methyl-4-sulfanylidene-1H-quinazolin-2-one
CID 170981203
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 55471213
N-[4-(3,6-dimethyl-9H-carbazol-1-yl)phenyl]-2,4,6-trimethylaniline
CID 174882577
1,3,6-trimethyl-9H-carbazole
CID 139213984
3-methyl-4-(4-methylphenyl)benzaldehyde
CID 81447593
1,6-dimethylazulene
CID 10855725

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-(4-methylphenyl)-1H-quinoline-2-thione?
The IUPAC name of 5,7-dimethyl-3-(4-methylphenyl)-1H-quinoline-2-thione (CID 21135872) is 5,7-dimethyl-3-(4-methylphenyl)-1H-quinoline-2-thione.
What is the SMILES notation for 5,7-dimethyl-3-(4-methylphenyl)-1H-quinoline-2-thione?
The canonical SMILES for 5,7-dimethyl-3-(4-methylphenyl)-1H-quinoline-2-thione is Cc1ccc(-c2cc3c(C)cc(C)cc3[nH]c2=S)cc1.
What is the InChIKey of 5,7-dimethyl-3-(4-methylphenyl)-1H-quinoline-2-thione?
The InChIKey is QSTKJMOAIFYFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NS/c1-11-4-6-14(7-5-11)16-10-15-13(3)8-12(2)9-17(15)19-18(16)20/h4-10H,1-3H3,(H,19,20).
What are the key properties of 5,7-dimethyl-3-(4-methylphenyl)-1H-quinoline-2-thione?
5,7-dimethyl-3-(4-methylphenyl)-1H-quinoline-2-thione has a molecular weight of 279.41 g/mol, XLogP of 5.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-(4-methylphenyl)-1H-quinoline-2-thione is sourced from PubChem (CID 21135872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).