ethyl 4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethoxy]benzoate

C19H23ClN4O3 — CID 19773562

IUPACethyl 4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethoxy]benzoate
SMILESCCOC(=O)c1ccc(OCCN2CCN(c3ccc(Cl)nn3)CC2)cc1
InChIInChI=1S/C19H23ClN4O3/c1-2-26-19(25)15-3-5-16(6-4-15)27-14-13-23-9-11-24(12-10-23)18-8-7-17(20)21-22-18/h3-8H,2,9-14H2,1H3
InChIKeyKUPYZEITNWGELC-UHFFFAOYSA-N
MW390.87 g/mol
LogP2.51
Rot. Bonds7

About ethyl 4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethoxy]benzoate

ethyl 4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethoxy]benzoate (PubChem CID 19773562) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is ethyl 4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethoxy]benzoate
PubChem CID19773562
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Nameethyl 4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethoxy]benzoate
SMILESCCOC(=O)c1ccc(OCCN2CCN(c3ccc(Cl)nn3)CC2)cc1
InChIInChI=1S/C19H23ClN4O3/c1-2-26-19(25)15-3-5-16(6-4-15)27-14-13-23-9-11-24(12-10-23)18-8-7-17(20)21-22-18/h3-8H,2,9-14H2,1H3
InChIKeyKUPYZEITNWGELC-UHFFFAOYSA-N
XLogP2.51
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[3-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]propoxy]benzoate
CID 14989315
ethyl 4-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]benzoate
CID 14989326
ethyl 4-[2-[4-(5-bromo-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethoxy]benzoate
CID 142759928
ethyl 6-[4-(3-phenoxypropyl)piperazin-1-yl]pyridine-3-carboxylate
CID 55579197
ethyl 4-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethoxy]benzoate
CID 142759916
3-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethoxy]benzaldehyde
CID 152762852
3,6-dichloropyridazine;ethyl 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]acetate;ethyl 2-piperazin-1-ylacetate
CID 158361391
1-[4-[2-[4-(3,6-dichloropyridazin-4-yl)piperazin-1-yl]ethoxy]phenyl]ethanone;1-(4-hydroxyphenyl)ethanone
CID 158692155
butyl 4-(6-chloropyridazin-3-yl)piperazine-1-carboxylate
CID 166545921
2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethyl N-(2-methoxyphenyl)carbamate
CID 58904602
2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate
CID 10741078
methyl 4-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethoxy]benzoate
CID 55832039

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethoxy]benzoate?
The IUPAC name of ethyl 4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethoxy]benzoate (CID 19773562) is ethyl 4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethoxy]benzoate.
What is the SMILES notation for ethyl 4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethoxy]benzoate?
The canonical SMILES for ethyl 4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethoxy]benzoate is CCOC(=O)c1ccc(OCCN2CCN(c3ccc(Cl)nn3)CC2)cc1.
What is the InChIKey of ethyl 4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethoxy]benzoate?
The InChIKey is KUPYZEITNWGELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c1-2-26-19(25)15-3-5-16(6-4-15)27-14-13-23-9-11-24(12-10-23)18-8-7-17(20)21-22-18/h3-8H,2,9-14H2,1H3.
What are the key properties of ethyl 4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethoxy]benzoate?
ethyl 4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethoxy]benzoate has a molecular weight of 390.87 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethoxy]benzoate is sourced from PubChem (CID 19773562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).