1-(4-methylphenyl)-3H-imidazo[4,5-c]quinoline-2-thione

C17H13N3S — CID 103964184

IUPAC1-(4-methylphenyl)-3H-imidazo[4,5-c]quinoline-2-thione
SMILESCc1ccc(-n2c(=S)[nH]c3cnc4ccccc4c32)cc1
InChIInChI=1S/C17H13N3S/c1-11-6-8-12(9-7-11)20-16-13-4-2-3-5-14(13)18-10-15(16)19-17(20)21/h2-10H,1H3,(H,19,21)
InChIKeyLLGJPITTWODWGK-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.54
Rot. Bonds1

About 1-(4-methylphenyl)-3H-imidazo[4,5-c]quinoline-2-thione

1-(4-methylphenyl)-3H-imidazo[4,5-c]quinoline-2-thione (PubChem CID 103964184) has the molecular formula C17H13N3S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3H-imidazo[4,5-c]quinoline-2-thione.

Molecular Properties

Compound Name1-(4-methylphenyl)-3H-imidazo[4,5-c]quinoline-2-thione
PubChem CID103964184
Molecular FormulaC17H13N3S
Molecular Weight291.38 g/mol
Exact Mass291.08
IUPAC Name1-(4-methylphenyl)-3H-imidazo[4,5-c]quinoline-2-thione
SMILESCc1ccc(-n2c(=S)[nH]c3cnc4ccccc4c32)cc1
InChIInChI=1S/C17H13N3S/c1-11-6-8-12(9-7-11)20-16-13-4-2-3-5-14(13)18-10-15(16)19-17(20)21/h2-10H,1H3,(H,19,21)
InChIKeyLLGJPITTWODWGK-UHFFFAOYSA-N
XLogP4.54
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(dimethylamino)propan-2-yl]-3H-imidazo[4,5-c]quinoline-2-thione
CID 103964339
1-(2-methoxy-2-methylpropyl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 104763014
1-(1-cyclopropylpropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 103964296
1-(1-methylpyrrolidin-3-yl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 103964222
1-(1-ethoxypropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 103964244
1-(cyclobutylmethyl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 103964189
3-(5-methyl-2-pyridinyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 3332007
1-(4-bromophenyl)-3-(4-methylphenyl)pyrazolo[4,5-c]quinoline
CID 20852536
3-(4-methylphenyl)-6-[3-(4-methylphenyl)-4-oxo-2-sulfanylidene-1H-quinazolin-6-yl]-2-sulfanylidene-1H-quinazolin-4-one
CID 15133897
3-[4-[4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 15134035
3-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-1H-benzimidazole-2-thione
CID 8024255
4-methyl-3-(4-methylphenyl)quinoline
CID 59375945

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3H-imidazo[4,5-c]quinoline-2-thione?
The IUPAC name of 1-(4-methylphenyl)-3H-imidazo[4,5-c]quinoline-2-thione (CID 103964184) is 1-(4-methylphenyl)-3H-imidazo[4,5-c]quinoline-2-thione.
What is the SMILES notation for 1-(4-methylphenyl)-3H-imidazo[4,5-c]quinoline-2-thione?
The canonical SMILES for 1-(4-methylphenyl)-3H-imidazo[4,5-c]quinoline-2-thione is Cc1ccc(-n2c(=S)[nH]c3cnc4ccccc4c32)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3H-imidazo[4,5-c]quinoline-2-thione?
The InChIKey is LLGJPITTWODWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3S/c1-11-6-8-12(9-7-11)20-16-13-4-2-3-5-14(13)18-10-15(16)19-17(20)21/h2-10H,1H3,(H,19,21).
What are the key properties of 1-(4-methylphenyl)-3H-imidazo[4,5-c]quinoline-2-thione?
1-(4-methylphenyl)-3H-imidazo[4,5-c]quinoline-2-thione has a molecular weight of 291.38 g/mol, XLogP of 4.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3H-imidazo[4,5-c]quinoline-2-thione is sourced from PubChem (CID 103964184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).