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

C46H50ClFN6O2 — CID 68859840

About 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-fluorophenyl)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-fluorophenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine (PubChem CID 68859840) has the molecular formula C46H50ClFN6O2 and a molecular weight of 773.40 g/mol. Its IUPAC name is 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-fluorophenyl)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-fluorophenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine
• PubChem CID: 68859840
• Molecular Formula: C46H50ClFN6O2
• Molecular Weight: 773.40 g/mol
• Exact Mass: 772.37
• IUPAC Name: 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine
• SMILES: CCOc1cc(CN2CCC(N(c3ccc4ccccc4n3)N(c3ccc4ccccc4n3)C3CCN(Cc4ccc(Cl)c(OCC)c4)CC3)CC2)ccc1F
• InChI: InChI=1S/C46H50ClFN6O2/c1-3-55-43-29-33(13-17-39(43)47)31-51-25-21-37(22-26-51)53(45-19-15-35-9-5-7-11-41(35)49-45)54(46-20-16-36-10-6-8-12-42(36)50-46)38-23-27-52(28-24-38)32-34-14-18-40(48)44(30-34)56-4-2/h5-20,29-30,37-38H,3-4,21-28,31-32H2,1-2H3
• InChIKey: DINHDQZGRWROOW-UHFFFAOYSA-N
• XLogP: 9.93
• TPSA: 57.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	773.40
LogP ≤ 5	9.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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-fluorophenyl)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-fluorophenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine (CID 68859840) is 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-fluorophenyl)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-fluorophenyl)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-fluorophenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine is CCOc1cc(CN2CCC(N(c3ccc4ccccc4n3)N(c3ccc4ccccc4n3)C3CCN(Cc4ccc(Cl)c(OCC)c4)CC3)CC2)ccc1F.

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

The InChIKey is DINHDQZGRWROOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H50ClFN6O2/c1-3-55-43-29-33(13-17-39(43)47)31-51-25-21-37(22-26-51)53(45-19-15-35-9-5-7-11-41(35)49-45)54(46-20-16-36-10-6-8-12-42(36)50-46)38-23-27-52(28-24-38)32-34-14-18-40(48)44(30-34)56-4-2/h5-20,29-30,37-38H,3-4,21-28,31-32H2,1-2H3.

What are the key properties of 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-fluorophenyl)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-fluorophenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine has a molecular weight of 773.40 g/mol, XLogP of 9.93, 13 rotatable bonds, 0 hydrogen bond donors, and 8 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-fluorophenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine is sourced from PubChem (CID 68859840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).