methyl 6-(2-quinolin-8-ylethylamino)pyridazine-3-carboxylate

C17H16N4O2 — CID 167873127

IUPACmethyl 6-(2-quinolin-8-ylethylamino)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCCc2cccc3cccnc23)nn1
InChIInChI=1S/C17H16N4O2/c1-23-17(22)14-7-8-15(21-20-14)18-11-9-13-5-2-4-12-6-3-10-19-16(12)13/h2-8,10H,9,11H2,1H3,(H,18,21)
InChIKeyZTPSLXZJVNAYHB-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.47
Rot. Bonds5

About methyl 6-(2-quinolin-8-ylethylamino)pyridazine-3-carboxylate

methyl 6-(2-quinolin-8-ylethylamino)pyridazine-3-carboxylate (PubChem CID 167873127) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is methyl 6-(2-quinolin-8-ylethylamino)pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-quinolin-8-ylethylamino)pyridazine-3-carboxylate
PubChem CID167873127
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Namemethyl 6-(2-quinolin-8-ylethylamino)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCCc2cccc3cccnc23)nn1
InChIInChI=1S/C17H16N4O2/c1-23-17(22)14-7-8-15(21-20-14)18-11-9-13-5-2-4-12-6-3-10-19-16(12)13/h2-8,10H,9,11H2,1H3,(H,18,21)
InChIKeyZTPSLXZJVNAYHB-UHFFFAOYSA-N
XLogP2.47
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 6-(2-quinolin-8-ylethylamino)pyridazine-3-carboxylate 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

6-chloro-N-(2-quinolin-8-ylethyl)pyridazin-3-amine
CID 112724616
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
6-[(2-methoxyphenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide
CID 109120046
6-chloro-N-(2-quinolin-8-ylethyl)pyrazin-2-amine
CID 47151476
2,2-dimethyl-3-(2-quinolin-8-ylethylamino)propanoic acid
CID 81426656
methyl 6-(butylamino)pyridazine-3-carboxylate
CID 24820196
methyl 6-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylate
CID 55027363
2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide
CID 78847250
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
4-methoxy-N-(2-quinolin-8-ylethyl)benzamide
CID 18149251
3-methoxy-2-(2-quinolin-8-ylethylamino)propanoic acid
CID 103258774
2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149265

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-quinolin-8-ylethylamino)pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(2-quinolin-8-ylethylamino)pyridazine-3-carboxylate (CID 167873127) is methyl 6-(2-quinolin-8-ylethylamino)pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(2-quinolin-8-ylethylamino)pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(2-quinolin-8-ylethylamino)pyridazine-3-carboxylate is COC(=O)c1ccc(NCCc2cccc3cccnc23)nn1.
What is the InChIKey of methyl 6-(2-quinolin-8-ylethylamino)pyridazine-3-carboxylate?
The InChIKey is ZTPSLXZJVNAYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-23-17(22)14-7-8-15(21-20-14)18-11-9-13-5-2-4-12-6-3-10-19-16(12)13/h2-8,10H,9,11H2,1H3,(H,18,21).
What are the key properties of methyl 6-(2-quinolin-8-ylethylamino)pyridazine-3-carboxylate?
methyl 6-(2-quinolin-8-ylethylamino)pyridazine-3-carboxylate has a molecular weight of 308.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-quinolin-8-ylethylamino)pyridazine-3-carboxylate is sourced from PubChem (CID 167873127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).