2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide

C18H22N4O3S2 — CID 4619601

IUPAC2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
SMILESCCN(C(=O)CSC1=Nc2ccccc2C2CC=NN12)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H22N4O3S2/c1-2-21(13-8-10-27(24,25)12-13)17(23)11-26-18-20-15-6-4-3-5-14(15)16-7-9-19-22(16)18/h3-6,9,13,16H,2,7-8,10-12H2,1H3
InChIKeyZKCKHGGIGUAFKK-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.19
Rot. Bonds4

About 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide

2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide (PubChem CID 4619601) has the molecular formula C18H22N4O3S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
PubChem CID4619601
Molecular FormulaC18H22N4O3S2
Molecular Weight406.53 g/mol
Exact Mass406.11
IUPAC Name2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
SMILESCCN(C(=O)CSC1=Nc2ccccc2C2CC=NN12)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H22N4O3S2/c1-2-21(13-8-10-27(24,25)12-13)17(23)11-26-18-20-15-6-4-3-5-14(15)16-7-9-19-22(16)18/h3-6,9,13,16H,2,7-8,10-12H2,1H3
InChIKeyZKCKHGGIGUAFKK-UHFFFAOYSA-N
XLogP2.19
TPSA82.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The IUPAC name of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide (CID 4619601) is 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The canonical SMILES for 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide is CCN(C(=O)CSC1=Nc2ccccc2C2CC=NN12)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The InChIKey is ZKCKHGGIGUAFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S2/c1-2-21(13-8-10-27(24,25)12-13)17(23)11-26-18-20-15-6-4-3-5-14(15)16-7-9-19-22(16)18/h3-6,9,13,16H,2,7-8,10-12H2,1H3.
What are the key properties of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide has a molecular weight of 406.53 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide is sourced from PubChem (CID 4619601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).