acetyl chloride;2-[3-(6-chloro-4-cyclohexylpyridazin-3-yl)oxyazetidin-1-yl]quinoline;2-[3-(6-chloro-5-piperidin-4-ylpyridazin-3-yl)oxyazetidin-1-yl]quinoline;1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-1-yl]ethanone;dihydrochloride

C68H75Cl5N14O5 — CID 158515343

IUPACacetyl chloride;2-[3-(6-chloro-4-cyclohexylpyridazin-3-yl)oxyazetidin-1-yl]quinoline;2-[3-(6-chloro-5-piperidin-4-ylpyridazin-3-yl)oxyazetidin-1-yl]quinoline;1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-1-yl]ethanone;dihydrochloride
SMILESCC(=O)Cl.CC(=O)N1CCC(c2ccnnc2OC2CN(c3ccc4ccccc4n3)C2)CC1.Cl.Cl.Clc1cc(C2CCCCC2)c(OC2CN(c3ccc4ccccc4n3)C2)nn1.Clc1nnc(OC2CN(c3ccc4ccccc4n3)C2)cc1C1CCNCC1
InChIInChI=1S/C23H25N5O2.C22H23ClN4O.C21H22ClN5O.C2H3ClO.2ClH/c1-16(29)27-12-9-17(10-13-27)20-8-11-24-26-23(20)30-19-14-28(15-19)22-7-6-18-4-2-3-5-21(18)25-22;23-20-12-18(15-6-2-1-3-7-15)22(26-25-20)28-17-13-27(14-17)21-11-10-16-8-4-5-9-19(16)24-21;22-21-17(14-7-9-23-10-8-14)11-20(25-26-21)28-16-12-27(13-16)19-6-5-15-3-1-2-4-18(15)24-19;1-2(3)4;;/h2-8,11,17,19H,9-10,12-15H2,1H3;4-5,8-12,15,17H,1-3,6-7,13-14H2;1-6,11,14,16,23H,7-10,12-13H2;1H3;2*1H
InChIKeyGHGVRSLJPXXICV-UHFFFAOYSA-N
MW1345.71 g/mol
LogP13.04
Rot. Bonds12

About acetyl chloride;2-[3-(6-chloro-4-cyclohexylpyridazin-3-yl)oxyazetidin-1-yl]quinoline;2-[3-(6-chloro-5-piperidin-4-ylpyridazin-3-yl)oxyazetidin-1-yl]quinoline;1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-1-yl]ethanone;dihydrochloride

acetyl chloride;2-[3-(6-chloro-4-cyclohexylpyridazin-3-yl)oxyazetidin-1-yl]quinoline;2-[3-(6-chloro-5-piperidin-4-ylpyridazin-3-yl)oxyazetidin-1-yl]quinoline;1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-1-yl]ethanone;dihydrochloride (PubChem CID 158515343) has the molecular formula C68H75Cl5N14O5 and a molecular weight of 1345.71 g/mol. Its IUPAC name is acetyl chloride;2-[3-(6-chloro-4-cyclohexylpyridazin-3-yl)oxyazetidin-1-yl]quinoline;2-[3-(6-chloro-5-piperidin-4-ylpyridazin-3-yl)oxyazetidin-1-yl]quinoline;1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Nameacetyl chloride;2-[3-(6-chloro-4-cyclohexylpyridazin-3-yl)oxyazetidin-1-yl]quinoline;2-[3-(6-chloro-5-piperidin-4-ylpyridazin-3-yl)oxyazetidin-1-yl]quinoline;1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-1-yl]ethanone;dihydrochloride
PubChem CID158515343
Molecular FormulaC68H75Cl5N14O5
Molecular Weight1345.71 g/mol
Exact Mass1342.45
IUPAC Nameacetyl chloride;2-[3-(6-chloro-4-cyclohexylpyridazin-3-yl)oxyazetidin-1-yl]quinoline;2-[3-(6-chloro-5-piperidin-4-ylpyridazin-3-yl)oxyazetidin-1-yl]quinoline;1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-1-yl]ethanone;dihydrochloride
SMILESCC(=O)Cl.CC(=O)N1CCC(c2ccnnc2OC2CN(c3ccc4ccccc4n3)C2)CC1.Cl.Cl.Clc1cc(C2CCCCC2)c(OC2CN(c3ccc4ccccc4n3)C2)nn1.Clc1nnc(OC2CN(c3ccc4ccccc4n3)C2)cc1C1CCNCC1
InChIInChI=1S/C23H25N5O2.C22H23ClN4O.C21H22ClN5O.C2H3ClO.2ClH/c1-16(29)27-12-9-17(10-13-27)20-8-11-24-26-23(20)30-19-14-28(15-19)22-7-6-18-4-2-3-5-21(18)25-22;23-20-12-18(15-6-2-1-3-7-15)22(26-25-20)28-17-13-27(14-17)21-11-10-16-8-4-5-9-19(16)24-21;22-21-17(14-7-9-23-10-8-14)11-20(25-26-21)28-16-12-27(13-16)19-6-5-15-3-1-2-4-18(15)24-19;1-2(3)4;;/h2-8,11,17,19H,9-10,12-15H2,1H3;4-5,8-12,15,17H,1-3,6-7,13-14H2;1-6,11,14,16,23H,7-10,12-13H2;1H3;2*1H
InChIKeyGHGVRSLJPXXICV-UHFFFAOYSA-N
XLogP13.04
TPSA202.83 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001345.71
LogP ≤ 513.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze acetyl chloride;2-[3-(6-chloro-4-cyclohexylpyridazin-3-yl)oxyazetidin-1-yl]quinoline;2-[3-(6-chloro-5-piperidin-4-ylpyridazin-3-yl)oxyazetidin-1-yl]quinoline;1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-1-yl]ethanone;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acetyl chloride;2-[3-(6-chloro-4-cyclohexylpyridazin-3-yl)oxyazetidin-1-yl]quinoline;2-[3-(6-chloro-5-piperidin-4-ylpyridazin-3-yl)oxyazetidin-1-yl]quinoline;1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-1-yl]ethanone;dihydrochloride?
The IUPAC name of acetyl chloride;2-[3-(6-chloro-4-cyclohexylpyridazin-3-yl)oxyazetidin-1-yl]quinoline;2-[3-(6-chloro-5-piperidin-4-ylpyridazin-3-yl)oxyazetidin-1-yl]quinoline;1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-1-yl]ethanone;dihydrochloride (CID 158515343) is acetyl chloride;2-[3-(6-chloro-4-cyclohexylpyridazin-3-yl)oxyazetidin-1-yl]quinoline;2-[3-(6-chloro-5-piperidin-4-ylpyridazin-3-yl)oxyazetidin-1-yl]quinoline;1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for acetyl chloride;2-[3-(6-chloro-4-cyclohexylpyridazin-3-yl)oxyazetidin-1-yl]quinoline;2-[3-(6-chloro-5-piperidin-4-ylpyridazin-3-yl)oxyazetidin-1-yl]quinoline;1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for acetyl chloride;2-[3-(6-chloro-4-cyclohexylpyridazin-3-yl)oxyazetidin-1-yl]quinoline;2-[3-(6-chloro-5-piperidin-4-ylpyridazin-3-yl)oxyazetidin-1-yl]quinoline;1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-1-yl]ethanone;dihydrochloride is CC(=O)Cl.CC(=O)N1CCC(c2ccnnc2OC2CN(c3ccc4ccccc4n3)C2)CC1.Cl.Cl.Clc1cc(C2CCCCC2)c(OC2CN(c3ccc4ccccc4n3)C2)nn1.Clc1nnc(OC2CN(c3ccc4ccccc4n3)C2)cc1C1CCNCC1.
What is the InChIKey of acetyl chloride;2-[3-(6-chloro-4-cyclohexylpyridazin-3-yl)oxyazetidin-1-yl]quinoline;2-[3-(6-chloro-5-piperidin-4-ylpyridazin-3-yl)oxyazetidin-1-yl]quinoline;1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-1-yl]ethanone;dihydrochloride?
The InChIKey is GHGVRSLJPXXICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2.C22H23ClN4O.C21H22ClN5O.C2H3ClO.2ClH/c1-16(29)27-12-9-17(10-13-27)20-8-11-24-26-23(20)30-19-14-28(15-19)22-7-6-18-4-2-3-5-21(18)25-22;23-20-12-18(15-6-2-1-3-7-15)22(26-25-20)28-17-13-27(14-17)21-11-10-16-8-4-5-9-19(16)24-21;22-21-17(14-7-9-23-10-8-14)11-20(25-26-21)28-16-12-27(13-16)19-6-5-15-3-1-2-4-18(15)24-19;1-2(3)4;;/h2-8,11,17,19H,9-10,12-15H2,1H3;4-5,8-12,15,17H,1-3,6-7,13-14H2;1-6,11,14,16,23H,7-10,12-13H2;1H3;2*1H.
What are the key properties of acetyl chloride;2-[3-(6-chloro-4-cyclohexylpyridazin-3-yl)oxyazetidin-1-yl]quinoline;2-[3-(6-chloro-5-piperidin-4-ylpyridazin-3-yl)oxyazetidin-1-yl]quinoline;1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-1-yl]ethanone;dihydrochloride?
acetyl chloride;2-[3-(6-chloro-4-cyclohexylpyridazin-3-yl)oxyazetidin-1-yl]quinoline;2-[3-(6-chloro-5-piperidin-4-ylpyridazin-3-yl)oxyazetidin-1-yl]quinoline;1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-1-yl]ethanone;dihydrochloride has a molecular weight of 1345.71 g/mol, XLogP of 13.04, 12 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl chloride;2-[3-(6-chloro-4-cyclohexylpyridazin-3-yl)oxyazetidin-1-yl]quinoline;2-[3-(6-chloro-5-piperidin-4-ylpyridazin-3-yl)oxyazetidin-1-yl]quinoline;1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 158515343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).