8-[3-(dimethylamino)propylamino]-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione

C16H22N6S — CID 22921728

IUPAC8-[3-(dimethylamino)propylamino]-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione
SMILESCCn1c(=S)[nH]c2cc3c(NCCCN(C)C)ncnc3cc21
InChIInChI=1S/C16H22N6S/c1-4-22-14-9-12-11(8-13(14)20-16(22)23)15(19-10-18-12)17-6-5-7-21(2)3/h8-10H,4-7H2,1-3H3,(H,20,23)(H,17,18,19)
InChIKeyBLJWTFPCOUFJQG-UHFFFAOYSA-N
MW330.46 g/mol
LogP3.03
Rot. Bonds6

About 8-[3-(dimethylamino)propylamino]-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione

8-[3-(dimethylamino)propylamino]-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione (PubChem CID 22921728) has the molecular formula C16H22N6S and a molecular weight of 330.46 g/mol. Its IUPAC name is 8-[3-(dimethylamino)propylamino]-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione.

Molecular Properties

Compound Name8-[3-(dimethylamino)propylamino]-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione
PubChem CID22921728
Molecular FormulaC16H22N6S
Molecular Weight330.46 g/mol
Exact Mass330.16
IUPAC Name8-[3-(dimethylamino)propylamino]-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione
SMILESCCn1c(=S)[nH]c2cc3c(NCCCN(C)C)ncnc3cc21
InChIInChI=1S/C16H22N6S/c1-4-22-14-9-12-11(8-13(14)20-16(22)23)15(19-10-18-12)17-6-5-7-21(2)3/h8-10H,4-7H2,1-3H3,(H,20,23)(H,17,18,19)
InChIKeyBLJWTFPCOUFJQG-UHFFFAOYSA-N
XLogP3.03
TPSA61.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-8-(2-pyridin-2-ylethylamino)-1H-imidazo[4,5-g]quinazoline-2-thione;dihydrochloride
CID 22921729
3-ethyl-8-[2-(1-methylpyrrolidin-2-yl)ethylamino]-1H-imidazo[4,5-g]quinazoline-2-thione
CID 22921868
3-ethyl-8-(thiophen-2-ylmethylamino)-1H-imidazo[4,5-g]quinazoline-2-thione
CID 57098572
3-ethyl-8-(oxolan-2-ylmethylamino)-1H-imidazo[4,5-g]quinazoline-2-thione
CID 57041769
8-[[2-[3-(dimethylamino)propoxy]phenyl]methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one
CID 21465406
8-(2-bicyclo[2.2.1]heptanylamino)-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione
CID 22921762
3-ethyl-8-[[phenyl(pyridin-2-yl)methyl]amino]-1H-imidazo[4,5-g]quinazoline-2-thione;dihydrochloride
CID 22921934
3-ethyl-8-piperidin-1-yl-1H-imidazo[4,5-g]quinazoline-2-thione
CID 22921780
3-ethyl-8-[methyl(thiophen-2-yl)amino]-1H-imidazo[4,5-g]quinazoline-2-thione;hydrochloride
CID 22921808
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-[imidazol-1-yl(propyl)amino]-1H-imidazo[4,5-g]quinazoline-2-thione;dihydrochloride
CID 22921954
8-[2-(dimethylamino)ethyl-methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one;dihydrochloride
CID 22921903

Frequently Asked Questions

What is the IUPAC name of 8-[3-(dimethylamino)propylamino]-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione?
The IUPAC name of 8-[3-(dimethylamino)propylamino]-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione (CID 22921728) is 8-[3-(dimethylamino)propylamino]-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione.
What is the SMILES notation for 8-[3-(dimethylamino)propylamino]-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione?
The canonical SMILES for 8-[3-(dimethylamino)propylamino]-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione is CCn1c(=S)[nH]c2cc3c(NCCCN(C)C)ncnc3cc21.
What is the InChIKey of 8-[3-(dimethylamino)propylamino]-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione?
The InChIKey is BLJWTFPCOUFJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6S/c1-4-22-14-9-12-11(8-13(14)20-16(22)23)15(19-10-18-12)17-6-5-7-21(2)3/h8-10H,4-7H2,1-3H3,(H,20,23)(H,17,18,19).
What are the key properties of 8-[3-(dimethylamino)propylamino]-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione?
8-[3-(dimethylamino)propylamino]-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione has a molecular weight of 330.46 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(dimethylamino)propylamino]-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione is sourced from PubChem (CID 22921728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).