2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,3-dimethylcyclohexyl)acetamide

C20H26N4OS — CID 4203296

IUPAC2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)CSC2=Nc3ccccc3C3CC=NN23)C1C
InChIInChI=1S/C20H26N4OS/c1-13-6-5-9-16(14(13)2)22-19(25)12-26-20-23-17-8-4-3-7-15(17)18-10-11-21-24(18)20/h3-4,7-8,11,13-14,16,18H,5-6,9-10,12H2,1-2H3,(H,22,25)
InChIKeyLPFCQNJZJVZEND-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.09
Rot. Bonds3

About 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,3-dimethylcyclohexyl)acetamide

2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,3-dimethylcyclohexyl)acetamide (PubChem CID 4203296) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,3-dimethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,3-dimethylcyclohexyl)acetamide
PubChem CID4203296
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)CSC2=Nc3ccccc3C3CC=NN23)C1C
InChIInChI=1S/C20H26N4OS/c1-13-6-5-9-16(14(13)2)22-19(25)12-26-20-23-17-8-4-3-7-15(17)18-10-11-21-24(18)20/h3-4,7-8,11,13-14,16,18H,5-6,9-10,12H2,1-2H3,(H,22,25)
InChIKeyLPFCQNJZJVZEND-UHFFFAOYSA-N
XLogP4.09
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,3-dimethylcyclohexyl)acetamide?
The IUPAC name of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,3-dimethylcyclohexyl)acetamide (CID 4203296) is 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,3-dimethylcyclohexyl)acetamide.
What is the SMILES notation for 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,3-dimethylcyclohexyl)acetamide?
The canonical SMILES for 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,3-dimethylcyclohexyl)acetamide is CC1CCCC(NC(=O)CSC2=Nc3ccccc3C3CC=NN23)C1C.
What is the InChIKey of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,3-dimethylcyclohexyl)acetamide?
The InChIKey is LPFCQNJZJVZEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-13-6-5-9-16(14(13)2)22-19(25)12-26-20-23-17-8-4-3-7-15(17)18-10-11-21-24(18)20/h3-4,7-8,11,13-14,16,18H,5-6,9-10,12H2,1-2H3,(H,22,25).
What are the key properties of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,3-dimethylcyclohexyl)acetamide?
2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,3-dimethylcyclohexyl)acetamide has a molecular weight of 370.52 g/mol, XLogP of 4.09, 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-(2,3-dimethylcyclohexyl)acetamide is sourced from PubChem (CID 4203296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).