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

C22H19N5O — CID 113050401

IUPAC2-(4-methylphenyl)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(Nc3cccc4cccnc34)nn2)cc1
InChIInChI=1S/C22H19N5O/c1-15-7-9-16(10-8-15)14-21(28)25-20-12-11-19(26-27-20)24-18-6-2-4-17-5-3-13-23-22(17)18/h2-13H,14H2,1H3,(H,24,26)(H,25,27,28)
InChIKeyKXDOLVZUAGPQBX-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.26
Rot. Bonds5

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

2-(4-methylphenyl)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide (PubChem CID 113050401) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide
PubChem CID113050401
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name2-(4-methylphenyl)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(Nc3cccc4cccnc34)nn2)cc1
InChIInChI=1S/C22H19N5O/c1-15-7-9-16(10-8-15)14-21(28)25-20-12-11-19(26-27-20)24-18-6-2-4-17-5-3-13-23-22(17)18/h2-13H,14H2,1H3,(H,24,26)(H,25,27,28)
InChIKeyKXDOLVZUAGPQBX-UHFFFAOYSA-N
XLogP4.26
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenoxy)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide
CID 113050394
N-[6-(2-bromoanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113050061
2-(3-methylphenyl)-N-[6-(quinolin-8-ylamino)-3-pyridinyl]acetamide
CID 113021762
2-(4-hydroxyphenyl)-N-quinolin-8-ylacetamide
CID 78837371
2-(3-methylphenyl)-N-quinolin-8-ylacetamide
CID 113098821
N-[6-(quinolin-8-ylamino)pyridazin-3-yl]cyclobutanecarboxamide
CID 113050407
2-(4-methoxyphenyl)-N-[4-(quinolin-8-ylamino)phenyl]acetamide
CID 112989310
N-hydroxy-4-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 54674805
N-[6-(quinolin-8-ylamino)-3-pyridinyl]propanamide
CID 113021717
2-(4-pyrazol-1-ylphenyl)-N-quinolin-8-ylacetamide
CID 47035823
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-quinolin-8-ylacetamide
CID 110437464
6-N-[(4-methylphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112859264

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide (CID 113050401) is 2-(4-methylphenyl)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide is Cc1ccc(CC(=O)Nc2ccc(Nc3cccc4cccnc34)nn2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide?
The InChIKey is KXDOLVZUAGPQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-15-7-9-16(10-8-15)14-21(28)25-20-12-11-19(26-27-20)24-18-6-2-4-17-5-3-13-23-22(17)18/h2-13H,14H2,1H3,(H,24,26)(H,25,27,28).
What are the key properties of 2-(4-methylphenyl)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide?
2-(4-methylphenyl)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide has a molecular weight of 369.43 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide is sourced from PubChem (CID 113050401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).