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

C22H22N4O3 — CID 113042446

IUPACN-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1ccc(N2CCc3ccccc3C2)nn1
InChIInChI=1S/C22H22N4O3/c1-28-18-8-4-5-9-19(18)29-15-22(27)23-20-10-11-21(25-24-20)26-13-12-16-6-2-3-7-17(16)14-26/h2-11H,12-15H2,1H3,(H,23,24,27)
InChIKeyVNJLYTGOQGXSTA-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.07
Rot. Bonds6

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

N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 113042446) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide
PubChem CID113042446
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1ccc(N2CCc3ccccc3C2)nn1
InChIInChI=1S/C22H22N4O3/c1-28-18-8-4-5-9-19(18)29-15-22(27)23-20-10-11-21(25-24-20)26-13-12-16-6-2-3-7-17(16)14-26/h2-11H,12-15H2,1H3,(H,23,24,27)
InChIKeyVNJLYTGOQGXSTA-UHFFFAOYSA-N
XLogP3.07
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[6-(3,4-dihydro-2H-quinolin-1-yl)pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 113046159
2-(2-methoxyphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide
CID 90543826
N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113031800
2-(2-methoxyphenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992910
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]oxane-4-carboxamide
CID 113042461
methyl N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]carbamate
CID 113013155
1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 122350758
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methoxyphenoxy)acetamide
CID 90328740
2-(4-chlorophenoxy)-N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]acetamide
CID 113013135
2-(2-methoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991643
N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113011252
2-(2-methoxyphenoxy)-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113041108

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide (CID 113042446) is N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)Nc1ccc(N2CCc3ccccc3C2)nn1.
What is the InChIKey of N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is VNJLYTGOQGXSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-28-18-8-4-5-9-19(18)29-15-22(27)23-20-10-11-21(25-24-20)26-13-12-16-6-2-3-7-17(16)14-26/h2-11H,12-15H2,1H3,(H,23,24,27).
What are the key properties of N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide?
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 390.44 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 113042446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).