3-ethyl-8-(2-pyridin-2-ylethylamino)-1H-imidazo[4,5-g]quinazoline-2-thione;dihydrochloride

C18H20Cl2N6S — CID 22921729

IUPAC3-ethyl-8-(2-pyridin-2-ylethylamino)-1H-imidazo[4,5-g]quinazoline-2-thione;dihydrochloride
SMILESCCn1c(=S)[nH]c2cc3c(NCCc4ccccn4)ncnc3cc21.Cl.Cl
InChIInChI=1S/C18H18N6S.2ClH/c1-2-24-16-10-14-13(9-15(16)23-18(24)25)17(22-11-21-14)20-8-6-12-5-3-4-7-19-12;;/h3-5,7,9-11H,2,6,8H2,1H3,(H,23,25)(H,20,21,22);2*1H
InChIKeyQFXLVJDDJUAXRG-UHFFFAOYSA-N
MW423.37 g/mol
LogP4.56
Rot. Bonds5

About 3-ethyl-8-(2-pyridin-2-ylethylamino)-1H-imidazo[4,5-g]quinazoline-2-thione;dihydrochloride

3-ethyl-8-(2-pyridin-2-ylethylamino)-1H-imidazo[4,5-g]quinazoline-2-thione;dihydrochloride (PubChem CID 22921729) has the molecular formula C18H20Cl2N6S and a molecular weight of 423.37 g/mol. Its IUPAC name is 3-ethyl-8-(2-pyridin-2-ylethylamino)-1H-imidazo[4,5-g]quinazoline-2-thione;dihydrochloride.

Molecular Properties

Compound Name3-ethyl-8-(2-pyridin-2-ylethylamino)-1H-imidazo[4,5-g]quinazoline-2-thione;dihydrochloride
PubChem CID22921729
Molecular FormulaC18H20Cl2N6S
Molecular Weight423.37 g/mol
Exact Mass422.08
IUPAC Name3-ethyl-8-(2-pyridin-2-ylethylamino)-1H-imidazo[4,5-g]quinazoline-2-thione;dihydrochloride
SMILESCCn1c(=S)[nH]c2cc3c(NCCc4ccccn4)ncnc3cc21.Cl.Cl
InChIInChI=1S/C18H18N6S.2ClH/c1-2-24-16-10-14-13(9-15(16)23-18(24)25)17(22-11-21-14)20-8-6-12-5-3-4-7-19-12;;/h3-5,7,9-11H,2,6,8H2,1H3,(H,23,25)(H,20,21,22);2*1H
InChIKeyQFXLVJDDJUAXRG-UHFFFAOYSA-N
XLogP4.56
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.37
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-8-[[phenyl(pyridin-2-yl)methyl]amino]-1H-imidazo[4,5-g]quinazoline-2-thione;dihydrochloride
CID 22921934
8-[3-(dimethylamino)propylamino]-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione
CID 22921728
3-ethyl-8-(thiophen-2-ylmethylamino)-1H-imidazo[4,5-g]quinazoline-2-thione
CID 57098572
3-ethyl-8-[2-(1-methylpyrrolidin-2-yl)ethylamino]-1H-imidazo[4,5-g]quinazoline-2-thione
CID 22921868
3-ethyl-8-(oxolan-2-ylmethylamino)-1H-imidazo[4,5-g]quinazoline-2-thione
CID 57041769
ethyl 4-[2-[[(3-ethyl-2-sulfanylidene-1H-imidazo[4,5-g]quinazolin-8-yl)amino]methyl]phenyl]piperazine-1-carboxylate
CID 23292974
3-ethyl-8-piperidin-1-yl-1H-imidazo[4,5-g]quinazoline-2-thione
CID 22921780
8-(2-bicyclo[2.2.1]heptanylamino)-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione
CID 22921762
8-(4-benzylpiperidin-1-yl)-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione
CID 22921827
3-ethyl-8-[methyl(thiophen-2-yl)amino]-1H-imidazo[4,5-g]quinazoline-2-thione;hydrochloride
CID 22921808
8-[(4-chlorophenyl)methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride
CID 22921755
3-ethyl-8-[[2-(2-methoxyethylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one
CID 23293023

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-(2-pyridin-2-ylethylamino)-1H-imidazo[4,5-g]quinazoline-2-thione;dihydrochloride?
The IUPAC name of 3-ethyl-8-(2-pyridin-2-ylethylamino)-1H-imidazo[4,5-g]quinazoline-2-thione;dihydrochloride (CID 22921729) is 3-ethyl-8-(2-pyridin-2-ylethylamino)-1H-imidazo[4,5-g]quinazoline-2-thione;dihydrochloride.
What is the SMILES notation for 3-ethyl-8-(2-pyridin-2-ylethylamino)-1H-imidazo[4,5-g]quinazoline-2-thione;dihydrochloride?
The canonical SMILES for 3-ethyl-8-(2-pyridin-2-ylethylamino)-1H-imidazo[4,5-g]quinazoline-2-thione;dihydrochloride is CCn1c(=S)[nH]c2cc3c(NCCc4ccccn4)ncnc3cc21.Cl.Cl.
What is the InChIKey of 3-ethyl-8-(2-pyridin-2-ylethylamino)-1H-imidazo[4,5-g]quinazoline-2-thione;dihydrochloride?
The InChIKey is QFXLVJDDJUAXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6S.2ClH/c1-2-24-16-10-14-13(9-15(16)23-18(24)25)17(22-11-21-14)20-8-6-12-5-3-4-7-19-12;;/h3-5,7,9-11H,2,6,8H2,1H3,(H,23,25)(H,20,21,22);2*1H.
What are the key properties of 3-ethyl-8-(2-pyridin-2-ylethylamino)-1H-imidazo[4,5-g]quinazoline-2-thione;dihydrochloride?
3-ethyl-8-(2-pyridin-2-ylethylamino)-1H-imidazo[4,5-g]quinazoline-2-thione;dihydrochloride has a molecular weight of 423.37 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-(2-pyridin-2-ylethylamino)-1H-imidazo[4,5-g]quinazoline-2-thione;dihydrochloride is sourced from PubChem (CID 22921729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).