1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine

C₄₇H₅₃ClN₆O₃ — CID 68862229

About 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine

1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine (PubChem CID 68862229) has the molecular formula C₄₇H₅₃ClN₆O₃ and a molecular weight of 785.43 g/mol. Its IUPAC name is 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine.

Molecular Properties

• Compound Name: 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine
• PubChem CID: 68862229
• Molecular Formula: C₄₇H₅₃ClN₆O₃
• Molecular Weight: 785.43 g/mol
• Exact Mass: 784.39
• IUPAC Name: 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine
• SMILES: CCOc1cc(CN2CCC(N(c3ccc4ccccc4n3)N(c3ccc4ccccc4n3)C3CCN(Cc4ccc(OC)c(OCC)c4)CC3)CC2)ccc1Cl
• InChI: InChI=1S/C47H53ClN6O3/c1-4-56-44-30-34(14-18-40(44)48)32-51-26-22-38(23-27-51)53(46-20-16-36-10-6-8-12-41(36)49-46)54(47-21-17-37-11-7-9-13-42(37)50-47)39-24-28-52(29-25-39)33-35-15-19-43(55-3)45(31-35)57-5-2/h6-21,30-31,38-39H,4-5,22-29,32-33H2,1-3H3
• InChIKey: NMIGLPAEACQUCX-UHFFFAOYSA-N
• XLogP: 9.80
• TPSA: 66.43 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	785.43
LogP ≤ 5	9.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine?

The IUPAC name of 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine (CID 68862229) is 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine.

What is the SMILES notation for 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine?

The canonical SMILES for 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine is CCOc1cc(CN2CCC(N(c3ccc4ccccc4n3)N(c3ccc4ccccc4n3)C3CCN(Cc4ccc(OC)c(OCC)c4)CC3)CC2)ccc1Cl.

What is the InChIKey of 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine?

The InChIKey is NMIGLPAEACQUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H53ClN6O3/c1-4-56-44-30-34(14-18-40(44)48)32-51-26-22-38(23-27-51)53(46-20-16-36-10-6-8-12-41(36)49-46)54(47-21-17-37-11-7-9-13-42(37)50-47)39-24-28-52(29-25-39)33-35-15-19-43(55-3)45(31-35)57-5-2/h6-21,30-31,38-39H,4-5,22-29,32-33H2,1-3H3.

What are the key properties of 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine?

1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine has a molecular weight of 785.43 g/mol, XLogP of 9.80, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine is sourced from PubChem (CID 68862229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 68862229 — identifiers, structure, computed properties (public domain)

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