3-ethyl-8-[2-(1-methylpyrrolidin-2-yl)ethylamino]-1H-imidazo[4,5-g]quinazoline-2-thione

C18H24N6S — CID 22921868

IUPAC3-ethyl-8-[2-(1-methylpyrrolidin-2-yl)ethylamino]-1H-imidazo[4,5-g]quinazoline-2-thione
SMILESCCn1c(=S)[nH]c2cc3c(NCCC4CCCN4C)ncnc3cc21
InChIInChI=1S/C18H24N6S/c1-3-24-16-10-14-13(9-15(16)22-18(24)25)17(21-11-20-14)19-7-6-12-5-4-8-23(12)2/h9-12H,3-8H2,1-2H3,(H,22,25)(H,19,20,21)
InChIKeyUKDPRBOTWINAOJ-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.56
Rot. Bonds5

About 3-ethyl-8-[2-(1-methylpyrrolidin-2-yl)ethylamino]-1H-imidazo[4,5-g]quinazoline-2-thione

3-ethyl-8-[2-(1-methylpyrrolidin-2-yl)ethylamino]-1H-imidazo[4,5-g]quinazoline-2-thione (PubChem CID 22921868) has the molecular formula C18H24N6S and a molecular weight of 356.50 g/mol. Its IUPAC name is 3-ethyl-8-[2-(1-methylpyrrolidin-2-yl)ethylamino]-1H-imidazo[4,5-g]quinazoline-2-thione.

Molecular Properties

Compound Name3-ethyl-8-[2-(1-methylpyrrolidin-2-yl)ethylamino]-1H-imidazo[4,5-g]quinazoline-2-thione
PubChem CID22921868
Molecular FormulaC18H24N6S
Molecular Weight356.50 g/mol
Exact Mass356.18
IUPAC Name3-ethyl-8-[2-(1-methylpyrrolidin-2-yl)ethylamino]-1H-imidazo[4,5-g]quinazoline-2-thione
SMILESCCn1c(=S)[nH]c2cc3c(NCCC4CCCN4C)ncnc3cc21
InChIInChI=1S/C18H24N6S/c1-3-24-16-10-14-13(9-15(16)22-18(24)25)17(21-11-20-14)19-7-6-12-5-4-8-23(12)2/h9-12H,3-8H2,1-2H3,(H,22,25)(H,19,20,21)
InChIKeyUKDPRBOTWINAOJ-UHFFFAOYSA-N
XLogP3.56
TPSA61.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.56
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

8-[3-(dimethylamino)propylamino]-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione
CID 22921728
3-ethyl-8-(oxolan-2-ylmethylamino)-1H-imidazo[4,5-g]quinazoline-2-thione
CID 57041769
8-(2-bicyclo[2.2.1]heptanylamino)-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione
CID 22921762
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
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-[[phenyl(pyridin-2-yl)methyl]amino]-1H-imidazo[4,5-g]quinazoline-2-thione;dihydrochloride
CID 22921934
3-ethyl-8-[[2-(2-piperidin-1-ylethoxy)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one
CID 67693856
3-ethyl-8-[imidazol-1-yl(propyl)amino]-1H-imidazo[4,5-g]quinazoline-2-thione;dihydrochloride
CID 22921954
8-[(4-chlorophenyl)methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride
CID 22921755
3-ethyl-8-[methyl(thiophen-2-yl)amino]-1H-imidazo[4,5-g]quinazoline-2-thione;hydrochloride
CID 22921808

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-[2-(1-methylpyrrolidin-2-yl)ethylamino]-1H-imidazo[4,5-g]quinazoline-2-thione?
The IUPAC name of 3-ethyl-8-[2-(1-methylpyrrolidin-2-yl)ethylamino]-1H-imidazo[4,5-g]quinazoline-2-thione (CID 22921868) is 3-ethyl-8-[2-(1-methylpyrrolidin-2-yl)ethylamino]-1H-imidazo[4,5-g]quinazoline-2-thione.
What is the SMILES notation for 3-ethyl-8-[2-(1-methylpyrrolidin-2-yl)ethylamino]-1H-imidazo[4,5-g]quinazoline-2-thione?
The canonical SMILES for 3-ethyl-8-[2-(1-methylpyrrolidin-2-yl)ethylamino]-1H-imidazo[4,5-g]quinazoline-2-thione is CCn1c(=S)[nH]c2cc3c(NCCC4CCCN4C)ncnc3cc21.
What is the InChIKey of 3-ethyl-8-[2-(1-methylpyrrolidin-2-yl)ethylamino]-1H-imidazo[4,5-g]quinazoline-2-thione?
The InChIKey is UKDPRBOTWINAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6S/c1-3-24-16-10-14-13(9-15(16)22-18(24)25)17(21-11-20-14)19-7-6-12-5-4-8-23(12)2/h9-12H,3-8H2,1-2H3,(H,22,25)(H,19,20,21).
What are the key properties of 3-ethyl-8-[2-(1-methylpyrrolidin-2-yl)ethylamino]-1H-imidazo[4,5-g]quinazoline-2-thione?
3-ethyl-8-[2-(1-methylpyrrolidin-2-yl)ethylamino]-1H-imidazo[4,5-g]quinazoline-2-thione has a molecular weight of 356.50 g/mol, XLogP of 3.56, 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-(1-methylpyrrolidin-2-yl)ethylamino]-1H-imidazo[4,5-g]quinazoline-2-thione is sourced from PubChem (CID 22921868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).