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

C15H17N3OS — CID 103964244

IUPAC1-(1-ethoxypropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione
SMILESCCOCC(C)n1c(=S)[nH]c2cnc3ccccc3c21
InChIInChI=1S/C15H17N3OS/c1-3-19-9-10(2)18-14-11-6-4-5-7-12(11)16-8-13(14)17-15(18)20/h4-8,10H,3,9H2,1-2H3,(H,17,20)
InChIKeyKQRVKFIJSDWCDL-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.84
Rot. Bonds4

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

1-(1-ethoxypropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione (PubChem CID 103964244) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-(1-ethoxypropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione.

Molecular Properties

Compound Name1-(1-ethoxypropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione
PubChem CID103964244
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name1-(1-ethoxypropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione
SMILESCCOCC(C)n1c(=S)[nH]c2cnc3ccccc3c21
InChIInChI=1S/C15H17N3OS/c1-3-19-9-10(2)18-14-11-6-4-5-7-12(11)16-8-13(14)17-15(18)20/h4-8,10H,3,9H2,1-2H3,(H,17,20)
InChIKeyKQRVKFIJSDWCDL-UHFFFAOYSA-N
XLogP3.84
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.84
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-[1-(dimethylamino)propan-2-yl]-3H-imidazo[4,5-c]quinoline-2-thione
CID 103964339
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
1-(2-methoxy-2-methylpropyl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 104763014
1-(4-methylphenyl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 103964184
1-(2,3-dimethylcyclopentyl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 103964312
1-(1-methylpyrrolidin-3-yl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 103964222
1-(1-ethoxy-3-methylbutan-2-yl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 114113692
1-ethoxy-3-ethyl-2-imidazo[4,5-c]quinolin-1-ylpentan-3-ol
CID 166790656
2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinoline
CID 118146486
1-(2-ethoxy-1-imidazo[4,5-c]quinolin-1-ylethyl)cyclopentan-1-ol
CID 166790792
2-(1-ethoxypropan-2-yl)-1H-benzimidazole
CID 20681263

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxypropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione?
The IUPAC name of 1-(1-ethoxypropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione (CID 103964244) is 1-(1-ethoxypropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione.
What is the SMILES notation for 1-(1-ethoxypropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione?
The canonical SMILES for 1-(1-ethoxypropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione is CCOCC(C)n1c(=S)[nH]c2cnc3ccccc3c21.
What is the InChIKey of 1-(1-ethoxypropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione?
The InChIKey is KQRVKFIJSDWCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-3-19-9-10(2)18-14-11-6-4-5-7-12(11)16-8-13(14)17-15(18)20/h4-8,10H,3,9H2,1-2H3,(H,17,20).
What are the key properties of 1-(1-ethoxypropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione?
1-(1-ethoxypropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione has a molecular weight of 287.39 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxypropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione is sourced from PubChem (CID 103964244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).