1,2-bis[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-1-(6-fluoroquinolin-2-yl)-2-(5-methyl-1,6-naphthyridin-2-yl)hydrazine

C46H50Cl2FN7O2 — CID 68905150

IUPAC1,2-bis[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-1-(6-fluoroquinolin-2-yl)-2-(5-methyl-1,6-naphthyridin-2-yl)hydrazine
SMILESCCOc1cc(CN2CCC(N(c3ccc4cc(F)ccc4n3)N(c3ccc4c(C)nccc4n3)C3CCN(Cc4ccc(Cl)c(OCC)c4)CC3)CC2)ccc1Cl
InChIInChI=1S/C46H50Cl2FN7O2/c1-4-57-43-26-32(6-11-39(43)47)29-53-22-17-36(18-23-53)55(45-14-8-34-28-35(49)9-13-41(34)51-45)56(46-15-10-38-31(3)50-21-16-42(38)52-46)37-19-24-54(25-20-37)30-33-7-12-40(48)44(27-33)58-5-2/h6-16,21,26-28,36-37H,4-5,17-20,22-25,29-30H2,1-3H3
InChIKeySWGVCLAZJYERAC-UHFFFAOYSA-N
MW822.86 g/mol
LogP10.29
Rot. Bonds13

About 1,2-bis[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-1-(6-fluoroquinolin-2-yl)-2-(5-methyl-1,6-naphthyridin-2-yl)hydrazine

1,2-bis[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-1-(6-fluoroquinolin-2-yl)-2-(5-methyl-1,6-naphthyridin-2-yl)hydrazine (PubChem CID 68905150) has the molecular formula C46H50Cl2FN7O2 and a molecular weight of 822.86 g/mol. Its IUPAC name is 1,2-bis[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-1-(6-fluoroquinolin-2-yl)-2-(5-methyl-1,6-naphthyridin-2-yl)hydrazine.

Molecular Properties

Compound Name1,2-bis[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-1-(6-fluoroquinolin-2-yl)-2-(5-methyl-1,6-naphthyridin-2-yl)hydrazine
PubChem CID68905150
Molecular FormulaC46H50Cl2FN7O2
Molecular Weight822.86 g/mol
Exact Mass821.34
IUPAC Name1,2-bis[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-1-(6-fluoroquinolin-2-yl)-2-(5-methyl-1,6-naphthyridin-2-yl)hydrazine
SMILESCCOc1cc(CN2CCC(N(c3ccc4cc(F)ccc4n3)N(c3ccc4c(C)nccc4n3)C3CCN(Cc4ccc(Cl)c(OCC)c4)CC3)CC2)ccc1Cl
InChIInChI=1S/C46H50Cl2FN7O2/c1-4-57-43-26-32(6-11-39(43)47)29-53-22-17-36(18-23-53)55(45-14-8-34-28-35(49)9-13-41(34)51-45)56(46-15-10-38-31(3)50-21-16-42(38)52-46)37-19-24-54(25-20-37)30-33-7-12-40(48)44(27-33)58-5-2/h6-16,21,26-28,36-37H,4-5,17-20,22-25,29-30H2,1-3H3
InChIKeySWGVCLAZJYERAC-UHFFFAOYSA-N
XLogP10.29
TPSA70.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.86
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1,2-bis[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-1-(6-fluoroquinolin-2-yl)-2-(5-methyl-1,6-naphthyridin-2-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 1,2-bis[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-1-(6-fluoroquinolin-2-yl)-2-(5-methyl-1,6-naphthyridin-2-yl)hydrazine?
The IUPAC name of 1,2-bis[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-1-(6-fluoroquinolin-2-yl)-2-(5-methyl-1,6-naphthyridin-2-yl)hydrazine (CID 68905150) is 1,2-bis[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-1-(6-fluoroquinolin-2-yl)-2-(5-methyl-1,6-naphthyridin-2-yl)hydrazine.
What is the SMILES notation for 1,2-bis[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-1-(6-fluoroquinolin-2-yl)-2-(5-methyl-1,6-naphthyridin-2-yl)hydrazine?
The canonical SMILES for 1,2-bis[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-1-(6-fluoroquinolin-2-yl)-2-(5-methyl-1,6-naphthyridin-2-yl)hydrazine is CCOc1cc(CN2CCC(N(c3ccc4cc(F)ccc4n3)N(c3ccc4c(C)nccc4n3)C3CCN(Cc4ccc(Cl)c(OCC)c4)CC3)CC2)ccc1Cl.
What is the InChIKey of 1,2-bis[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-1-(6-fluoroquinolin-2-yl)-2-(5-methyl-1,6-naphthyridin-2-yl)hydrazine?
The InChIKey is SWGVCLAZJYERAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H50Cl2FN7O2/c1-4-57-43-26-32(6-11-39(43)47)29-53-22-17-36(18-23-53)55(45-14-8-34-28-35(49)9-13-41(34)51-45)56(46-15-10-38-31(3)50-21-16-42(38)52-46)37-19-24-54(25-20-37)30-33-7-12-40(48)44(27-33)58-5-2/h6-16,21,26-28,36-37H,4-5,17-20,22-25,29-30H2,1-3H3.
What are the key properties of 1,2-bis[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-1-(6-fluoroquinolin-2-yl)-2-(5-methyl-1,6-naphthyridin-2-yl)hydrazine?
1,2-bis[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-1-(6-fluoroquinolin-2-yl)-2-(5-methyl-1,6-naphthyridin-2-yl)hydrazine has a molecular weight of 822.86 g/mol, XLogP of 10.29, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-1-(6-fluoroquinolin-2-yl)-2-(5-methyl-1,6-naphthyridin-2-yl)hydrazine is sourced from PubChem (CID 68905150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).