2-(4-methylphenoxy)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide

C22H19N5O2 — CID 113050394

IUPAC2-(4-methylphenoxy)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Nc3cccc4cccnc34)nn2)cc1
InChIInChI=1S/C22H19N5O2/c1-15-7-9-17(10-8-15)29-14-21(28)25-20-12-11-19(26-27-20)24-18-6-2-4-16-5-3-13-23-22(16)18/h2-13H,14H2,1H3,(H,24,26)(H,25,27,28)
InChIKeyOLTUAGQLEPIDLK-UHFFFAOYSA-N
MW385.43 g/mol
LogP4.09
Rot. Bonds6

About 2-(4-methylphenoxy)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide

2-(4-methylphenoxy)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide (PubChem CID 113050394) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide
PubChem CID113050394
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name2-(4-methylphenoxy)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Nc3cccc4cccnc34)nn2)cc1
InChIInChI=1S/C22H19N5O2/c1-15-7-9-17(10-8-15)29-14-21(28)25-20-12-11-19(26-27-20)24-18-6-2-4-16-5-3-13-23-22(16)18/h2-13H,14H2,1H3,(H,24,26)(H,25,27,28)
InChIKeyOLTUAGQLEPIDLK-UHFFFAOYSA-N
XLogP4.09
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylphenyl)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide
CID 113050401
N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113046517
N-[6-(2,5-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113046299
2-(4-fluorophenoxy)-N-quinolin-8-ylacetamide
CID 17443973
N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113048225
N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113048769
2-(4-methylphenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 36644007
N-(2-chloro-3-pyridinyl)-2-(4-methylphenoxy)acetamide
CID 823681
N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113049082
2-(3,4-dichlorophenoxy)-N-quinolin-8-ylacetamide
CID 37001376
N-[6-(quinolin-8-ylamino)pyridazin-3-yl]cyclobutanecarboxamide
CID 113050407
N-(6-methylquinolin-8-yl)-2-phenoxyacetamide
CID 110715572

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide (CID 113050394) is 2-(4-methylphenoxy)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide is Cc1ccc(OCC(=O)Nc2ccc(Nc3cccc4cccnc34)nn2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide?
The InChIKey is OLTUAGQLEPIDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-15-7-9-17(10-8-15)29-14-21(28)25-20-12-11-19(26-27-20)24-18-6-2-4-16-5-3-13-23-22(16)18/h2-13H,14H2,1H3,(H,24,26)(H,25,27,28).
What are the key properties of 2-(4-methylphenoxy)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide?
2-(4-methylphenoxy)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide has a molecular weight of 385.43 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide is sourced from PubChem (CID 113050394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).