2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide

C23H24N4O2S — CID 53074112

IUPAC2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2ccc(N3CCc4ccccc4C3)nn2)cc1
InChIInChI=1S/C23H24N4O2S/c1-2-29-20-9-7-19(8-10-20)24-22(28)16-30-23-12-11-21(25-26-23)27-14-13-17-5-3-4-6-18(17)15-27/h3-12H,2,13-16H2,1H3,(H,24,28)
InChIKeyYROPAJOCYGCHBV-UHFFFAOYSA-N
MW420.54 g/mol
LogP4.17
Rot. Bonds7

About 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide

2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide (PubChem CID 53074112) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
PubChem CID53074112
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2ccc(N3CCc4ccccc4C3)nn2)cc1
InChIInChI=1S/C23H24N4O2S/c1-2-29-20-9-7-19(8-10-20)24-22(28)16-30-23-12-11-21(25-26-23)27-14-13-17-5-3-4-6-18(17)15-27/h3-12H,2,13-16H2,1H3,(H,24,28)
InChIKeyYROPAJOCYGCHBV-UHFFFAOYSA-N
XLogP4.17
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide with MolForge

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Related Compounds

2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 53142296
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109158381
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 53074140
(3R)-N-cyclopropyl-1-[6-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]piperidine-3-carboxamide
CID 95092904
(3S)-N-cyclopropyl-1-[6-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]piperidine-3-carboxamide
CID 95092903
N-(4-methoxyphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53109106
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 53074129
N-[6-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide
CID 42138506
N-(4-ethoxyphenyl)-2-[6-(3-fluorophenyl)sulfonylpyridazin-3-yl]sulfanylacetamide
CID 50838911
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide
CID 108514454
2-(4-chlorophenoxy)-N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]acetamide
CID 113013135
N-(4-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591885

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide (CID 53074112) is 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CSc2ccc(N3CCc4ccccc4C3)nn2)cc1.
What is the InChIKey of 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide?
The InChIKey is YROPAJOCYGCHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-2-29-20-9-7-19(8-10-20)24-22(28)16-30-23-12-11-21(25-26-23)27-14-13-17-5-3-4-6-18(17)15-27/h3-12H,2,13-16H2,1H3,(H,24,28).
What are the key properties of 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide?
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide has a molecular weight of 420.54 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 53074112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).