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

C17H19N3S — CID 103964312

IUPAC1-(2,3-dimethylcyclopentyl)-3H-imidazo[4,5-c]quinoline-2-thione
SMILESCC1CCC(n2c(=S)[nH]c3cnc4ccccc4c32)C1C
InChIInChI=1S/C17H19N3S/c1-10-7-8-15(11(10)2)20-16-12-5-3-4-6-13(12)18-9-14(16)19-17(20)21/h3-6,9-11,15H,7-8H2,1-2H3,(H,19,21)
InChIKeyGAEVMRCNRIVCGS-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.85
Rot. Bonds1

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

1-(2,3-dimethylcyclopentyl)-3H-imidazo[4,5-c]quinoline-2-thione (PubChem CID 103964312) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 1-(2,3-dimethylcyclopentyl)-3H-imidazo[4,5-c]quinoline-2-thione.

Molecular Properties

Compound Name1-(2,3-dimethylcyclopentyl)-3H-imidazo[4,5-c]quinoline-2-thione
PubChem CID103964312
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name1-(2,3-dimethylcyclopentyl)-3H-imidazo[4,5-c]quinoline-2-thione
SMILESCC1CCC(n2c(=S)[nH]c3cnc4ccccc4c32)C1C
InChIInChI=1S/C17H19N3S/c1-10-7-8-15(11(10)2)20-16-12-5-3-4-6-13(12)18-9-14(16)19-17(20)21/h3-6,9-11,15H,7-8H2,1-2H3,(H,19,21)
InChIKeyGAEVMRCNRIVCGS-UHFFFAOYSA-N
XLogP4.85
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.85
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-methylpyrrolidin-3-yl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 103964222
1-(1-cyclopropylpropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 103964296
1-(4-methylphenyl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 103964184
1-(cyclobutylmethyl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 103964189
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
3-(2,3-dimethylcyclopentyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 115321975
1-(1-ethoxypropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 103964244
3-(2,4-dimethylcyclohexyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79289322
3-(3-ethyl-2-methylcyclopentyl)-1H-benzimidazole-2-thione
CID 64914831
5-bromo-3-(2,3-dimethylcyclohexyl)-1H-benzimidazole-2-thione
CID 65347320
2-(chloromethyl)-1-(2-methylcyclopropyl)imidazo[4,5-c]quinoline
CID 103964688

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylcyclopentyl)-3H-imidazo[4,5-c]quinoline-2-thione?
The IUPAC name of 1-(2,3-dimethylcyclopentyl)-3H-imidazo[4,5-c]quinoline-2-thione (CID 103964312) is 1-(2,3-dimethylcyclopentyl)-3H-imidazo[4,5-c]quinoline-2-thione.
What is the SMILES notation for 1-(2,3-dimethylcyclopentyl)-3H-imidazo[4,5-c]quinoline-2-thione?
The canonical SMILES for 1-(2,3-dimethylcyclopentyl)-3H-imidazo[4,5-c]quinoline-2-thione is CC1CCC(n2c(=S)[nH]c3cnc4ccccc4c32)C1C.
What is the InChIKey of 1-(2,3-dimethylcyclopentyl)-3H-imidazo[4,5-c]quinoline-2-thione?
The InChIKey is GAEVMRCNRIVCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-10-7-8-15(11(10)2)20-16-12-5-3-4-6-13(12)18-9-14(16)19-17(20)21/h3-6,9-11,15H,7-8H2,1-2H3,(H,19,21).
What are the key properties of 1-(2,3-dimethylcyclopentyl)-3H-imidazo[4,5-c]quinoline-2-thione?
1-(2,3-dimethylcyclopentyl)-3H-imidazo[4,5-c]quinoline-2-thione has a molecular weight of 297.43 g/mol, XLogP of 4.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylcyclopentyl)-3H-imidazo[4,5-c]quinoline-2-thione is sourced from PubChem (CID 103964312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).