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

C15H17N3OS — CID 104763014

IUPAC1-(2-methoxy-2-methylpropyl)-3H-imidazo[4,5-c]quinoline-2-thione
SMILESCOC(C)(C)Cn1c(=S)[nH]c2cnc3ccccc3c21
InChIInChI=1S/C15H17N3OS/c1-15(2,19-3)9-18-13-10-6-4-5-7-11(10)16-8-12(13)17-14(18)20/h4-8H,9H2,1-3H3,(H,17,20)
InChIKeyQXUZCGFBLGUUGK-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.67
Rot. Bonds3

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

1-(2-methoxy-2-methylpropyl)-3H-imidazo[4,5-c]quinoline-2-thione (PubChem CID 104763014) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-(2-methoxy-2-methylpropyl)-3H-imidazo[4,5-c]quinoline-2-thione.

Molecular Properties

Compound Name1-(2-methoxy-2-methylpropyl)-3H-imidazo[4,5-c]quinoline-2-thione
PubChem CID104763014
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name1-(2-methoxy-2-methylpropyl)-3H-imidazo[4,5-c]quinoline-2-thione
SMILESCOC(C)(C)Cn1c(=S)[nH]c2cnc3ccccc3c21
InChIInChI=1S/C15H17N3OS/c1-15(2,19-3)9-18-13-10-6-4-5-7-11(10)16-8-12(13)17-14(18)20/h4-8H,9H2,1-3H3,(H,17,20)
InChIKeyQXUZCGFBLGUUGK-UHFFFAOYSA-N
XLogP3.67
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.67
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-(cyclobutylmethyl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 103964189
3-(2-methoxy-2-methylpropyl)-4-methyl-1H-benzimidazole-2-thione
CID 104763013
2-(chloromethyl)-1-(2-methoxy-2-methylpropyl)imidazo[4,5-c]quinoline
CID 104763468
1-(4-methylphenyl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 103964184
1-(1-ethoxypropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 103964244
1-[1-(dimethylamino)propan-2-yl]-3H-imidazo[4,5-c]quinoline-2-thione
CID 103964339
1-(2,3-dimethylcyclopentyl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 103964312
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
3-(2-methoxy-2-methylpropyl)-6-(trifluoromethyl)-1H-benzimidazole-2-thione
CID 104763019
2-(1-chloroethyl)-3-(2-methoxy-2-methylpropyl)quinazolin-4-one
CID 104765099
N-(2-methoxy-2-methylpropyl)-3-nitroquinolin-4-amine
CID 104762572

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-methylpropyl)-3H-imidazo[4,5-c]quinoline-2-thione?
The IUPAC name of 1-(2-methoxy-2-methylpropyl)-3H-imidazo[4,5-c]quinoline-2-thione (CID 104763014) is 1-(2-methoxy-2-methylpropyl)-3H-imidazo[4,5-c]quinoline-2-thione.
What is the SMILES notation for 1-(2-methoxy-2-methylpropyl)-3H-imidazo[4,5-c]quinoline-2-thione?
The canonical SMILES for 1-(2-methoxy-2-methylpropyl)-3H-imidazo[4,5-c]quinoline-2-thione is COC(C)(C)Cn1c(=S)[nH]c2cnc3ccccc3c21.
What is the InChIKey of 1-(2-methoxy-2-methylpropyl)-3H-imidazo[4,5-c]quinoline-2-thione?
The InChIKey is QXUZCGFBLGUUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-15(2,19-3)9-18-13-10-6-4-5-7-11(10)16-8-12(13)17-14(18)20/h4-8H,9H2,1-3H3,(H,17,20).
What are the key properties of 1-(2-methoxy-2-methylpropyl)-3H-imidazo[4,5-c]quinoline-2-thione?
1-(2-methoxy-2-methylpropyl)-3H-imidazo[4,5-c]quinoline-2-thione has a molecular weight of 287.39 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-methylpropyl)-3H-imidazo[4,5-c]quinoline-2-thione is sourced from PubChem (CID 104763014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).