3-ethyl-8-piperidin-1-yl-1H-imidazo[4,5-g]quinazoline-2-thione

C16H19N5S — CID 22921780

IUPAC3-ethyl-8-piperidin-1-yl-1H-imidazo[4,5-g]quinazoline-2-thione
SMILESCCn1c(=S)[nH]c2cc3c(N4CCCCC4)ncnc3cc21
InChIInChI=1S/C16H19N5S/c1-2-21-14-9-12-11(8-13(14)19-16(21)22)15(18-10-17-12)20-6-4-3-5-7-20/h8-10H,2-7H2,1H3,(H,19,22)
InChIKeyAISSJNLKSBIKLZ-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.65
Rot. Bonds2

About 3-ethyl-8-piperidin-1-yl-1H-imidazo[4,5-g]quinazoline-2-thione

3-ethyl-8-piperidin-1-yl-1H-imidazo[4,5-g]quinazoline-2-thione (PubChem CID 22921780) has the molecular formula C16H19N5S and a molecular weight of 313.43 g/mol. Its IUPAC name is 3-ethyl-8-piperidin-1-yl-1H-imidazo[4,5-g]quinazoline-2-thione.

Molecular Properties

Compound Name3-ethyl-8-piperidin-1-yl-1H-imidazo[4,5-g]quinazoline-2-thione
PubChem CID22921780
Molecular FormulaC16H19N5S
Molecular Weight313.43 g/mol
Exact Mass313.14
IUPAC Name3-ethyl-8-piperidin-1-yl-1H-imidazo[4,5-g]quinazoline-2-thione
SMILESCCn1c(=S)[nH]c2cc3c(N4CCCCC4)ncnc3cc21
InChIInChI=1S/C16H19N5S/c1-2-21-14-9-12-11(8-13(14)19-16(21)22)15(18-10-17-12)20-6-4-3-5-7-20/h8-10H,2-7H2,1H3,(H,19,22)
InChIKeyAISSJNLKSBIKLZ-UHFFFAOYSA-N
XLogP3.65
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-(4-benzylpiperidin-1-yl)-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione
CID 22921827
3-ethyl-8-(4-methyl-1,4-diazepan-1-yl)-1H-imidazo[4,5-g]quinazolin-2-one;dihydrochloride
CID 22921938
4-(3-ethyl-2-oxo-1H-imidazo[4,5-g]quinazolin-8-yl)piperazine-1-carboxylic acid
CID 22707521
3-ethyl-8-[2-(1-methylpyrrolidin-2-yl)ethylamino]-1H-imidazo[4,5-g]quinazoline-2-thione
CID 22921868
8-(2-bicyclo[2.2.1]heptanylamino)-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione
CID 22921762
8-[3-(dimethylamino)propylamino]-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione
CID 22921728
3-ethyl-8-[[phenyl(pyridin-2-yl)methyl]amino]-1H-imidazo[4,5-g]quinazoline-2-thione;dihydrochloride
CID 22921934
3-ethyl-8-[methyl(thiophen-2-yl)amino]-1H-imidazo[4,5-g]quinazoline-2-thione;hydrochloride
CID 22921808
3-ethyl-8-[imidazol-1-yl(propyl)amino]-1H-imidazo[4,5-g]quinazoline-2-thione;dihydrochloride
CID 22921954
ethyl 4-[2-[[(3-ethyl-2-sulfanylidene-1H-imidazo[4,5-g]quinazolin-8-yl)amino]methyl]phenyl]piperazine-1-carboxylate
CID 23292974
4-(azocan-1-yl)quinazolin-7-amine
CID 65337382
4-(azepan-1-yl)quinazolin-7-amine
CID 65336850

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-piperidin-1-yl-1H-imidazo[4,5-g]quinazoline-2-thione?
The IUPAC name of 3-ethyl-8-piperidin-1-yl-1H-imidazo[4,5-g]quinazoline-2-thione (CID 22921780) is 3-ethyl-8-piperidin-1-yl-1H-imidazo[4,5-g]quinazoline-2-thione.
What is the SMILES notation for 3-ethyl-8-piperidin-1-yl-1H-imidazo[4,5-g]quinazoline-2-thione?
The canonical SMILES for 3-ethyl-8-piperidin-1-yl-1H-imidazo[4,5-g]quinazoline-2-thione is CCn1c(=S)[nH]c2cc3c(N4CCCCC4)ncnc3cc21.
What is the InChIKey of 3-ethyl-8-piperidin-1-yl-1H-imidazo[4,5-g]quinazoline-2-thione?
The InChIKey is AISSJNLKSBIKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5S/c1-2-21-14-9-12-11(8-13(14)19-16(21)22)15(18-10-17-12)20-6-4-3-5-7-20/h8-10H,2-7H2,1H3,(H,19,22).
What are the key properties of 3-ethyl-8-piperidin-1-yl-1H-imidazo[4,5-g]quinazoline-2-thione?
3-ethyl-8-piperidin-1-yl-1H-imidazo[4,5-g]quinazoline-2-thione has a molecular weight of 313.43 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-piperidin-1-yl-1H-imidazo[4,5-g]quinazoline-2-thione is sourced from PubChem (CID 22921780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).