2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,4-dimethylphenyl)acetamide

C20H20N4OS — CID 4779719

IUPAC2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSC2=Nc3ccccc3C3CC=NN23)c(C)c1
InChIInChI=1S/C20H20N4OS/c1-13-7-8-16(14(2)11-13)22-19(25)12-26-20-23-17-6-4-3-5-15(17)18-9-10-21-24(18)20/h3-8,10-11,18H,9,12H2,1-2H3,(H,22,25)
InChIKeyHYOMKBGNJNFZII-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.41
Rot. Bonds3

About 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,4-dimethylphenyl)acetamide

2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,4-dimethylphenyl)acetamide (PubChem CID 4779719) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,4-dimethylphenyl)acetamide
PubChem CID4779719
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC Name2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSC2=Nc3ccccc3C3CC=NN23)c(C)c1
InChIInChI=1S/C20H20N4OS/c1-13-7-8-16(14(2)11-13)22-19(25)12-26-20-23-17-6-4-3-5-15(17)18-9-10-21-24(18)20/h3-8,10-11,18H,9,12H2,1-2H3,(H,22,25)
InChIKeyHYOMKBGNJNFZII-UHFFFAOYSA-N
XLogP4.41
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,4-dimethylphenyl)acetamide 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-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,4-dimethylphenyl)acetamide (CID 4779719) is 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CSC2=Nc3ccccc3C3CC=NN23)c(C)c1.
What is the InChIKey of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is HYOMKBGNJNFZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c1-13-7-8-16(14(2)11-13)22-19(25)12-26-20-23-17-6-4-3-5-15(17)18-9-10-21-24(18)20/h3-8,10-11,18H,9,12H2,1-2H3,(H,22,25).
What are the key properties of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,4-dimethylphenyl)acetamide?
2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 364.47 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 4779719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).