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

C15H18N4S — CID 103964339

IUPAC1-[1-(dimethylamino)propan-2-yl]-3H-imidazo[4,5-c]quinoline-2-thione
SMILESCC(CN(C)C)n1c(=S)[nH]c2cnc3ccccc3c21
InChIInChI=1S/C15H18N4S/c1-10(9-18(2)3)19-14-11-6-4-5-7-12(11)16-8-13(14)17-15(19)20/h4-8,10H,9H2,1-3H3,(H,17,20)
InChIKeyODNHGWOOJLYTGI-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.37
Rot. Bonds3

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

1-[1-(dimethylamino)propan-2-yl]-3H-imidazo[4,5-c]quinoline-2-thione (PubChem CID 103964339) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-[1-(dimethylamino)propan-2-yl]-3H-imidazo[4,5-c]quinoline-2-thione.

Molecular Properties

Compound Name1-[1-(dimethylamino)propan-2-yl]-3H-imidazo[4,5-c]quinoline-2-thione
PubChem CID103964339
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name1-[1-(dimethylamino)propan-2-yl]-3H-imidazo[4,5-c]quinoline-2-thione
SMILESCC(CN(C)C)n1c(=S)[nH]c2cnc3ccccc3c21
InChIInChI=1S/C15H18N4S/c1-10(9-18(2)3)19-14-11-6-4-5-7-12(11)16-8-13(14)17-15(19)20/h4-8,10H,9H2,1-3H3,(H,17,20)
InChIKeyODNHGWOOJLYTGI-UHFFFAOYSA-N
XLogP3.37
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.37
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-cyclopropylpropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 103964296
1-(1-ethoxypropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 103964244
1-[1-(dimethylamino)propan-2-yl]imidazo[4,5-c]quinolin-2-amine
CID 103964554
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-(2-methoxy-2-methylpropyl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 104763014
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
3-[1-(dimethylamino)propan-2-yl]-6-iodo-1H-benzimidazole-2-thione
CID 82950736
3-(4-methylpentan-2-yl)-2-sulfanylidene-1H-quinazolin-4-one
CID 43372394
4-chloro-3-(1-phenylpropan-2-yl)-1H-benzimidazole-2-thione
CID 63546403
2-(1-chloropropyl)-3-[1-(dimethylamino)propan-2-yl]quinazolin-4-one
CID 82940755

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)propan-2-yl]-3H-imidazo[4,5-c]quinoline-2-thione?
The IUPAC name of 1-[1-(dimethylamino)propan-2-yl]-3H-imidazo[4,5-c]quinoline-2-thione (CID 103964339) is 1-[1-(dimethylamino)propan-2-yl]-3H-imidazo[4,5-c]quinoline-2-thione.
What is the SMILES notation for 1-[1-(dimethylamino)propan-2-yl]-3H-imidazo[4,5-c]quinoline-2-thione?
The canonical SMILES for 1-[1-(dimethylamino)propan-2-yl]-3H-imidazo[4,5-c]quinoline-2-thione is CC(CN(C)C)n1c(=S)[nH]c2cnc3ccccc3c21.
What is the InChIKey of 1-[1-(dimethylamino)propan-2-yl]-3H-imidazo[4,5-c]quinoline-2-thione?
The InChIKey is ODNHGWOOJLYTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-10(9-18(2)3)19-14-11-6-4-5-7-12(11)16-8-13(14)17-15(19)20/h4-8,10H,9H2,1-3H3,(H,17,20).
What are the key properties of 1-[1-(dimethylamino)propan-2-yl]-3H-imidazo[4,5-c]quinoline-2-thione?
1-[1-(dimethylamino)propan-2-yl]-3H-imidazo[4,5-c]quinoline-2-thione has a molecular weight of 286.40 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)propan-2-yl]-3H-imidazo[4,5-c]quinoline-2-thione is sourced from PubChem (CID 103964339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).