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

C18H14ClFN4OS — CID 4779618

IUPAC2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-chloro-4-fluorophenyl)acetamide
SMILESO=C(CSC1=Nc2ccccc2C2CC=NN12)Nc1ccc(F)cc1Cl
InChIInChI=1S/C18H14ClFN4OS/c19-13-9-11(20)5-6-15(13)22-17(25)10-26-18-23-14-4-2-1-3-12(14)16-7-8-21-24(16)18/h1-6,8-9,16H,7,10H2,(H,22,25)
InChIKeyMQHQEURIFVBIDT-UHFFFAOYSA-N
MW388.86 g/mol
LogP4.58
Rot. Bonds3

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

2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-chloro-4-fluorophenyl)acetamide (PubChem CID 4779618) has the molecular formula C18H14ClFN4OS and a molecular weight of 388.86 g/mol. Its IUPAC name is 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-chloro-4-fluorophenyl)acetamide
PubChem CID4779618
Molecular FormulaC18H14ClFN4OS
Molecular Weight388.86 g/mol
Exact Mass388.06
IUPAC Name2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-chloro-4-fluorophenyl)acetamide
SMILESO=C(CSC1=Nc2ccccc2C2CC=NN12)Nc1ccc(F)cc1Cl
InChIInChI=1S/C18H14ClFN4OS/c19-13-9-11(20)5-6-15(13)22-17(25)10-26-18-23-14-4-2-1-3-12(14)16-7-8-21-24(16)18/h1-6,8-9,16H,7,10H2,(H,22,25)
InChIKeyMQHQEURIFVBIDT-UHFFFAOYSA-N
XLogP4.58
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 54.58
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-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-chloro-4-fluorophenyl)acetamide (CID 4779618) is 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-chloro-4-fluorophenyl)acetamide is O=C(CSC1=Nc2ccccc2C2CC=NN12)Nc1ccc(F)cc1Cl.
What is the InChIKey of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-chloro-4-fluorophenyl)acetamide?
The InChIKey is MQHQEURIFVBIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4OS/c19-13-9-11(20)5-6-15(13)22-17(25)10-26-18-23-14-4-2-1-3-12(14)16-7-8-21-24(16)18/h1-6,8-9,16H,7,10H2,(H,22,25).
What are the key properties of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-chloro-4-fluorophenyl)acetamide?
2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-chloro-4-fluorophenyl)acetamide has a molecular weight of 388.86 g/mol, XLogP of 4.58, 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-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 4779618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).