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

C19H24N4OS — CID 4291543

IUPAC2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CSC1=Nc2ccccc2C2CC=NN12
InChIInChI=1S/C19H24N4OS/c1-13-6-2-4-8-15(13)21-18(24)12-25-19-22-16-9-5-3-7-14(16)17-10-11-20-23(17)19/h3,5,7,9,11,13,15,17H,2,4,6,8,10,12H2,1H3,(H,21,24)
InChIKeyXXBSQJVWOVZCRW-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.85
Rot. Bonds3

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

2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-methylcyclohexyl)acetamide (PubChem CID 4291543) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-methylcyclohexyl)acetamide
PubChem CID4291543
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CSC1=Nc2ccccc2C2CC=NN12
InChIInChI=1S/C19H24N4OS/c1-13-6-2-4-8-15(13)21-18(24)12-25-19-22-16-9-5-3-7-14(16)17-10-11-20-23(17)19/h3,5,7,9,11,13,15,17H,2,4,6,8,10,12H2,1H3,(H,21,24)
InChIKeyXXBSQJVWOVZCRW-UHFFFAOYSA-N
XLogP3.85
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.85
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-methylcyclohexyl)acetamide?
The IUPAC name of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-methylcyclohexyl)acetamide (CID 4291543) is 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-methylcyclohexyl)acetamide is CC1CCCCC1NC(=O)CSC1=Nc2ccccc2C2CC=NN12.
What is the InChIKey of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-methylcyclohexyl)acetamide?
The InChIKey is XXBSQJVWOVZCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-13-6-2-4-8-15(13)21-18(24)12-25-19-22-16-9-5-3-7-14(16)17-10-11-20-23(17)19/h3,5,7,9,11,13,15,17H,2,4,6,8,10,12H2,1H3,(H,21,24).
What are the key properties of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-methylcyclohexyl)acetamide?
2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-methylcyclohexyl)acetamide has a molecular weight of 356.50 g/mol, XLogP of 3.85, 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-methylcyclohexyl)acetamide is sourced from PubChem (CID 4291543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).