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

C15H16N4S — CID 103964222

IUPAC1-(1-methylpyrrolidin-3-yl)-3H-imidazo[4,5-c]quinoline-2-thione
SMILESCN1CCC(n2c(=S)[nH]c3cnc4ccccc4c32)C1
InChIInChI=1S/C15H16N4S/c1-18-7-6-10(9-18)19-14-11-4-2-3-5-12(11)16-8-13(14)17-15(19)20/h2-5,8,10H,6-7,9H2,1H3,(H,17,20)
InChIKeyLQPQCNZBPDOVGY-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.12
Rot. Bonds1

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

1-(1-methylpyrrolidin-3-yl)-3H-imidazo[4,5-c]quinoline-2-thione (PubChem CID 103964222) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 1-(1-methylpyrrolidin-3-yl)-3H-imidazo[4,5-c]quinoline-2-thione.

Molecular Properties

Compound Name1-(1-methylpyrrolidin-3-yl)-3H-imidazo[4,5-c]quinoline-2-thione
PubChem CID103964222
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name1-(1-methylpyrrolidin-3-yl)-3H-imidazo[4,5-c]quinoline-2-thione
SMILESCN1CCC(n2c(=S)[nH]c3cnc4ccccc4c32)C1
InChIInChI=1S/C15H16N4S/c1-18-7-6-10(9-18)19-14-11-4-2-3-5-12(11)16-8-13(14)17-15(19)20/h2-5,8,10H,6-7,9H2,1H3,(H,17,20)
InChIKeyLQPQCNZBPDOVGY-UHFFFAOYSA-N
XLogP3.12
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dimethylcyclopentyl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 103964312
1-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]quinolin-2-amine
CID 103964439
1-(1-cyclopropylpropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 103964296
1-(cyclobutylmethyl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 103964189
3-(1-methylpiperidin-3-yl)-1H-benzimidazole-2-thione
CID 55138546
1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-2-amine
CID 103964413
1-(4-methylphenyl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 103964184
5-bromo-3-(1-methylpyrrolidin-3-yl)-1H-benzimidazole-2-thione
CID 65346992
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-ethoxypropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 103964244
6-methyl-3-(1-methylpiperidin-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293623

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrolidin-3-yl)-3H-imidazo[4,5-c]quinoline-2-thione?
The IUPAC name of 1-(1-methylpyrrolidin-3-yl)-3H-imidazo[4,5-c]quinoline-2-thione (CID 103964222) is 1-(1-methylpyrrolidin-3-yl)-3H-imidazo[4,5-c]quinoline-2-thione.
What is the SMILES notation for 1-(1-methylpyrrolidin-3-yl)-3H-imidazo[4,5-c]quinoline-2-thione?
The canonical SMILES for 1-(1-methylpyrrolidin-3-yl)-3H-imidazo[4,5-c]quinoline-2-thione is CN1CCC(n2c(=S)[nH]c3cnc4ccccc4c32)C1.
What is the InChIKey of 1-(1-methylpyrrolidin-3-yl)-3H-imidazo[4,5-c]quinoline-2-thione?
The InChIKey is LQPQCNZBPDOVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-18-7-6-10(9-18)19-14-11-4-2-3-5-12(11)16-8-13(14)17-15(19)20/h2-5,8,10H,6-7,9H2,1H3,(H,17,20).
What are the key properties of 1-(1-methylpyrrolidin-3-yl)-3H-imidazo[4,5-c]quinoline-2-thione?
1-(1-methylpyrrolidin-3-yl)-3H-imidazo[4,5-c]quinoline-2-thione has a molecular weight of 284.39 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrolidin-3-yl)-3H-imidazo[4,5-c]quinoline-2-thione is sourced from PubChem (CID 103964222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).