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

C20H20N4O2S — CID 4212663

IUPAC2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CSC2=Nc3ccccc3C3CC=NN23)cc1
InChIInChI=1S/C20H20N4O2S/c1-26-15-8-6-14(7-9-15)12-21-19(25)13-27-20-23-17-5-3-2-4-16(17)18-10-11-22-24(18)20/h2-9,11,18H,10,12-13H2,1H3,(H,21,25)
InChIKeyUQVSJRLXLPDDLM-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.48
Rot. Bonds5

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

2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 4212663) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID4212663
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CSC2=Nc3ccccc3C3CC=NN23)cc1
InChIInChI=1S/C20H20N4O2S/c1-26-15-8-6-14(7-9-15)12-21-19(25)13-27-20-23-17-5-3-2-4-16(17)18-10-11-22-24(18)20/h2-9,11,18H,10,12-13H2,1H3,(H,21,25)
InChIKeyUQVSJRLXLPDDLM-UHFFFAOYSA-N
XLogP3.48
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-[(4-methoxyphenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl 5-[[2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 3622930
2-[[(10bR)-1,10b-dihydropyrazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 7831079
2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 4672580
N-[(4-methoxyphenyl)methyl]-2-[[(2R)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 92725955
N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320624
2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 3270432
N-[(4-methoxyphenyl)methyl]-2-[4-(4-methoxyphenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide
CID 53029065
3-[(2R)-5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 98355155
2-[(2R)-5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 98354843
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-[(4-methoxyphenyl)methyl]-2-[[4-oxo-2-(4-propan-2-ylphenyl)-2,3,3a,5-tetrahydro-1H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl]acetamide
CID 74526405
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2339494

Frequently Asked Questions

What is the IUPAC name of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-[(4-methoxyphenyl)methyl]acetamide (CID 4212663) is 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CSC2=Nc3ccccc3C3CC=NN23)cc1.
What is the InChIKey of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is UQVSJRLXLPDDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-26-15-8-6-14(7-9-15)12-21-19(25)13-27-20-23-17-5-3-2-4-16(17)18-10-11-22-24(18)20/h2-9,11,18H,10,12-13H2,1H3,(H,21,25).
What are the key properties of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-[(4-methoxyphenyl)methyl]acetamide?
2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 380.47 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 4212663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).