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

C19H18N4OS — CID 3887874

IUPAC2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CSC1=Nc2ccccc2C2CC=NN12)c1ccccc1
InChIInChI=1S/C19H18N4OS/c1-22(14-7-3-2-4-8-14)18(24)13-25-19-21-16-10-6-5-9-15(16)17-11-12-20-23(17)19/h2-10,12,17H,11,13H2,1H3
InChIKeyPLMJUIMNOOZPSC-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.82
Rot. Bonds3

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

2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-methyl-N-phenylacetamide (PubChem CID 3887874) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-methyl-N-phenylacetamide
PubChem CID3887874
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CSC1=Nc2ccccc2C2CC=NN12)c1ccccc1
InChIInChI=1S/C19H18N4OS/c1-22(14-7-3-2-4-8-14)18(24)13-25-19-21-16-10-6-5-9-15(16)17-11-12-20-23(17)19/h2-10,12,17H,11,13H2,1H3
InChIKeyPLMJUIMNOOZPSC-UHFFFAOYSA-N
XLogP3.82
TPSA48.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.82
H-Bond Donors ≤ 50
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-methyl-N-phenylacetamide?
The IUPAC name of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-methyl-N-phenylacetamide (CID 3887874) is 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-methyl-N-phenylacetamide is CN(C(=O)CSC1=Nc2ccccc2C2CC=NN12)c1ccccc1.
What is the InChIKey of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-methyl-N-phenylacetamide?
The InChIKey is PLMJUIMNOOZPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-22(14-7-3-2-4-8-14)18(24)13-25-19-21-16-10-6-5-9-15(16)17-11-12-20-23(17)19/h2-10,12,17H,11,13H2,1H3.
What are the key properties of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-methyl-N-phenylacetamide?
2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-methyl-N-phenylacetamide has a molecular weight of 350.45 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 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-methyl-N-phenylacetamide is sourced from PubChem (CID 3887874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).