N-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]acetamide

C25H30N4O2 — CID 10237964

IUPACN-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
InChIInChI=1S/C25H30N4O2/c1-19-9-10-23-24(26-19)7-4-8-25(23)31-16-15-28-11-13-29(14-12-28)18-21-5-3-6-22(17-21)27-20(2)30/h3-10,17H,11-16,18H2,1-2H3,(H,27,30)
InChIKeyPMUMPYZJZVTUOL-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.70
Rot. Bonds7

About N-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]acetamide

N-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]acetamide (PubChem CID 10237964) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]acetamide
PubChem CID10237964
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
InChIInChI=1S/C25H30N4O2/c1-19-9-10-23-24(26-19)7-4-8-25(23)31-16-15-28-11-13-29(14-12-28)18-21-5-3-6-22(17-21)27-20(2)30/h3-10,17H,11-16,18H2,1-2H3,(H,27,30)
InChIKeyPMUMPYZJZVTUOL-UHFFFAOYSA-N
XLogP3.70
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]acetamide (CID 10237964) is N-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1cccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1.
What is the InChIKey of N-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]acetamide?
The InChIKey is PMUMPYZJZVTUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-19-9-10-23-24(26-19)7-4-8-25(23)31-16-15-28-11-13-29(14-12-28)18-21-5-3-6-22(17-21)27-20(2)30/h3-10,17H,11-16,18H2,1-2H3,(H,27,30).
What are the key properties of N-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]acetamide?
N-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]acetamide has a molecular weight of 418.54 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 10237964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).