1-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-pentan-3-yloxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-4-yl)hydrazine

C55H70N6O4 — CID 68869534

IUPAC1-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-pentan-3-yloxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-4-yl)hydrazine
SMILESCCOc1cc(CN2CCC(N(c3ccnc4ccccc34)N(c3ccnc4ccccc34)C3CCN(Cc4ccc(OC(CC)CC)c(OCC)c4)CC3)CC2)ccc1OCC(C)C
InChIInChI=1S/C55H70N6O4/c1-7-45(8-2)65-53-22-20-42(36-55(53)63-10-4)38-59-33-27-44(28-34-59)61(51-24-30-57-49-18-14-12-16-47(49)51)60(50-23-29-56-48-17-13-11-15-46(48)50)43-25-31-58(32-26-43)37-41-19-21-52(64-39-40(5)6)54(35-41)62-9-3/h11-24,29-30,35-36,40,43-45H,7-10,25-28,31-34,37-39H2,1-6H3
InChIKeyAEZUEQUXNLTBRD-UHFFFAOYSA-N
MW879.20 g/mol
LogP11.74
Rot. Bonds20

About 1-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-pentan-3-yloxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-4-yl)hydrazine

1-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-pentan-3-yloxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-4-yl)hydrazine (PubChem CID 68869534) has the molecular formula C55H70N6O4 and a molecular weight of 879.20 g/mol. Its IUPAC name is 1-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-pentan-3-yloxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-4-yl)hydrazine.

Molecular Properties

Compound Name1-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-pentan-3-yloxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-4-yl)hydrazine
PubChem CID68869534
Molecular FormulaC55H70N6O4
Molecular Weight879.20 g/mol
Exact Mass878.55
IUPAC Name1-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-pentan-3-yloxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-4-yl)hydrazine
SMILESCCOc1cc(CN2CCC(N(c3ccnc4ccccc34)N(c3ccnc4ccccc34)C3CCN(Cc4ccc(OC(CC)CC)c(OCC)c4)CC3)CC2)ccc1OCC(C)C
InChIInChI=1S/C55H70N6O4/c1-7-45(8-2)65-53-22-20-42(36-55(53)63-10-4)38-59-33-27-44(28-34-59)61(51-24-30-57-49-18-14-12-16-47(49)51)60(50-23-29-56-48-17-13-11-15-46(48)50)43-25-31-58(32-26-43)37-41-19-21-52(64-39-40(5)6)54(35-41)62-9-3/h11-24,29-30,35-36,40,43-45H,7-10,25-28,31-34,37-39H2,1-6H3
InChIKeyAEZUEQUXNLTBRD-UHFFFAOYSA-N
XLogP11.74
TPSA75.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.20
LogP ≤ 511.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 1-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-pentan-3-yloxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-4-yl)hydrazine 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 1-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-pentan-3-yloxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-4-yl)hydrazine?
The IUPAC name of 1-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-pentan-3-yloxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-4-yl)hydrazine (CID 68869534) is 1-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-pentan-3-yloxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-4-yl)hydrazine.
What is the SMILES notation for 1-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-pentan-3-yloxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-4-yl)hydrazine?
The canonical SMILES for 1-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-pentan-3-yloxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-4-yl)hydrazine is CCOc1cc(CN2CCC(N(c3ccnc4ccccc34)N(c3ccnc4ccccc34)C3CCN(Cc4ccc(OC(CC)CC)c(OCC)c4)CC3)CC2)ccc1OCC(C)C.
What is the InChIKey of 1-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-pentan-3-yloxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-4-yl)hydrazine?
The InChIKey is AEZUEQUXNLTBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H70N6O4/c1-7-45(8-2)65-53-22-20-42(36-55(53)63-10-4)38-59-33-27-44(28-34-59)61(51-24-30-57-49-18-14-12-16-47(49)51)60(50-23-29-56-48-17-13-11-15-46(48)50)43-25-31-58(32-26-43)37-41-19-21-52(64-39-40(5)6)54(35-41)62-9-3/h11-24,29-30,35-36,40,43-45H,7-10,25-28,31-34,37-39H2,1-6H3.
What are the key properties of 1-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-pentan-3-yloxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-4-yl)hydrazine?
1-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-pentan-3-yloxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-4-yl)hydrazine has a molecular weight of 879.20 g/mol, XLogP of 11.74, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-pentan-3-yloxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-4-yl)hydrazine is sourced from PubChem (CID 68869534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).