8-(2-bicyclo[2.2.1]heptanylamino)-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione

C18H21N5S — CID 22921762

IUPAC8-(2-bicyclo[2.2.1]heptanylamino)-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione
SMILESCCn1c(=S)[nH]c2cc3c(NC4CC5CCC4C5)ncnc3cc21
InChIInChI=1S/C18H21N5S/c1-2-23-16-8-14-12(7-15(16)22-18(23)24)17(20-9-19-14)21-13-6-10-3-4-11(13)5-10/h7-11,13H,2-6H2,1H3,(H,22,24)(H,19,20,21)
InChIKeyPIKOHZUXXMOJLR-UHFFFAOYSA-N
MW339.47 g/mol
LogP4.26
Rot. Bonds3

About 8-(2-bicyclo[2.2.1]heptanylamino)-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione

8-(2-bicyclo[2.2.1]heptanylamino)-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione (PubChem CID 22921762) has the molecular formula C18H21N5S and a molecular weight of 339.47 g/mol. Its IUPAC name is 8-(2-bicyclo[2.2.1]heptanylamino)-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione.

Molecular Properties

Compound Name8-(2-bicyclo[2.2.1]heptanylamino)-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione
PubChem CID22921762
Molecular FormulaC18H21N5S
Molecular Weight339.47 g/mol
Exact Mass339.15
IUPAC Name8-(2-bicyclo[2.2.1]heptanylamino)-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione
SMILESCCn1c(=S)[nH]c2cc3c(NC4CC5CCC4C5)ncnc3cc21
InChIInChI=1S/C18H21N5S/c1-2-23-16-8-14-12(7-15(16)22-18(23)24)17(20-9-19-14)21-13-6-10-3-4-11(13)5-10/h7-11,13H,2-6H2,1H3,(H,22,24)(H,19,20,21)
InChIKeyPIKOHZUXXMOJLR-UHFFFAOYSA-N
XLogP4.26
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-(2-bicyclo[2.2.1]heptanylamino)-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione with MolForge

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Related Compounds

3-ethyl-8-(oxolan-2-ylmethylamino)-1H-imidazo[4,5-g]quinazoline-2-thione
CID 57041769
3-ethyl-8-[2-(1-methylpyrrolidin-2-yl)ethylamino]-1H-imidazo[4,5-g]quinazoline-2-thione
CID 22921868
8-[3-(dimethylamino)propylamino]-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione
CID 22921728
3-ethyl-8-piperidin-1-yl-1H-imidazo[4,5-g]quinazoline-2-thione
CID 22921780
3-ethyl-8-(thiophen-2-ylmethylamino)-1H-imidazo[4,5-g]quinazoline-2-thione
CID 57098572
8-(4-benzylpiperidin-1-yl)-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione
CID 22921827
3-ethyl-8-[[phenyl(pyridin-2-yl)methyl]amino]-1H-imidazo[4,5-g]quinazoline-2-thione;dihydrochloride
CID 22921934
ethyl 4-[2-[[(3-ethyl-2-sulfanylidene-1H-imidazo[4,5-g]quinazolin-8-yl)amino]methyl]phenyl]piperazine-1-carboxylate
CID 23292974
N-(2-bicyclo[2.2.1]heptanyl)-6-ethoxypyrimidin-4-amine
CID 66330992
3-ethyl-8-[methyl(thiophen-2-yl)amino]-1H-imidazo[4,5-g]quinazoline-2-thione;hydrochloride
CID 22921808
8-(4-methoxyanilino)-3-(2-methylpropyl)-1H-imidazo[4,5-g]quinazoline-2-thione
CID 102381738
3-ethyl-8-[imidazol-1-yl(propyl)amino]-1H-imidazo[4,5-g]quinazoline-2-thione;dihydrochloride
CID 22921954

Frequently Asked Questions

What is the IUPAC name of 8-(2-bicyclo[2.2.1]heptanylamino)-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione?
The IUPAC name of 8-(2-bicyclo[2.2.1]heptanylamino)-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione (CID 22921762) is 8-(2-bicyclo[2.2.1]heptanylamino)-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione.
What is the SMILES notation for 8-(2-bicyclo[2.2.1]heptanylamino)-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione?
The canonical SMILES for 8-(2-bicyclo[2.2.1]heptanylamino)-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione is CCn1c(=S)[nH]c2cc3c(NC4CC5CCC4C5)ncnc3cc21.
What is the InChIKey of 8-(2-bicyclo[2.2.1]heptanylamino)-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione?
The InChIKey is PIKOHZUXXMOJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5S/c1-2-23-16-8-14-12(7-15(16)22-18(23)24)17(20-9-19-14)21-13-6-10-3-4-11(13)5-10/h7-11,13H,2-6H2,1H3,(H,22,24)(H,19,20,21).
What are the key properties of 8-(2-bicyclo[2.2.1]heptanylamino)-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione?
8-(2-bicyclo[2.2.1]heptanylamino)-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione has a molecular weight of 339.47 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-bicyclo[2.2.1]heptanylamino)-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione is sourced from PubChem (CID 22921762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).