1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-3-yl)hydrazine

C49H56F2N6O4 — CID 68872694

About 1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-3-yl)hydrazine

1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-3-yl)hydrazine (PubChem CID 68872694) has the molecular formula C49H56F2N6O4 and a molecular weight of 831.02 g/mol. Its IUPAC name is 1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-3-yl)hydrazine.

Molecular Properties

• Compound Name: 1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-3-yl)hydrazine
• PubChem CID: 68872694
• Molecular Formula: C49H56F2N6O4
• Molecular Weight: 831.02 g/mol
• Exact Mass: 830.43
• IUPAC Name: 1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-3-yl)hydrazine
• SMILES: CCCOc1cc(CN2CCC(N(c3cnc4ccccc4c3)N(c3cnc4ccccc4c3)C3CCN(Cc4ccc(OC(F)F)c(OCC)c4)CC3)CC2)ccc1OC
• InChI: InChI=1S/C49H56F2N6O4/c1-4-26-60-47-27-35(14-16-45(47)58-3)33-54-22-18-39(19-23-54)56(41-29-37-10-6-8-12-43(37)52-31-41)57(42-30-38-11-7-9-13-44(38)53-32-42)40-20-24-55(25-21-40)34-36-15-17-46(61-49(50)51)48(28-36)59-5-2/h6-17,27-32,39-40,49H,4-5,18-26,33-34H2,1-3H3
• InChIKey: CZQRJJLCRDJYFO-UHFFFAOYSA-N
• XLogP: 10.14
• TPSA: 75.66 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	831.02
LogP ≤ 5	10.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-3-yl)hydrazine?

The IUPAC name of 1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-3-yl)hydrazine (CID 68872694) is 1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-3-yl)hydrazine.

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

The canonical SMILES for 1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-3-yl)hydrazine is CCCOc1cc(CN2CCC(N(c3cnc4ccccc4c3)N(c3cnc4ccccc4c3)C3CCN(Cc4ccc(OC(F)F)c(OCC)c4)CC3)CC2)ccc1OC.

What is the InChIKey of 1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-3-yl)hydrazine?

The InChIKey is CZQRJJLCRDJYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H56F2N6O4/c1-4-26-60-47-27-35(14-16-45(47)58-3)33-54-22-18-39(19-23-54)56(41-29-37-10-6-8-12-43(37)52-31-41)57(42-30-38-11-7-9-13-44(38)53-32-42)40-20-24-55(25-21-40)34-36-15-17-46(61-49(50)51)48(28-36)59-5-2/h6-17,27-32,39-40,49H,4-5,18-26,33-34H2,1-3H3.

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

1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-3-yl)hydrazine has a molecular weight of 831.02 g/mol, XLogP of 10.14, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-3-yl)hydrazine is sourced from PubChem (CID 68872694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).