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

C25H30N4O2 — CID 24865540

IUPACN-[4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1
InChIInChI=1S/C25H30N4O2/c1-19-6-11-23-24(26-19)4-3-5-25(23)31-17-16-28-12-14-29(15-13-28)18-21-7-9-22(10-8-21)27-20(2)30/h3-11H,12-18H2,1-2H3,(H,27,30)
InChIKeyKITBABOYAHPNCD-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.70
Rot. Bonds7

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

N-[4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]acetamide (PubChem CID 24865540) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]acetamide
PubChem CID24865540
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-[4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1
InChIInChI=1S/C25H30N4O2/c1-19-6-11-23-24(26-19)4-3-5-25(23)31-17-16-28-12-14-29(15-13-28)18-21-7-9-22(10-8-21)27-20(2)30/h3-11H,12-18H2,1-2H3,(H,27,30)
InChIKeyKITBABOYAHPNCD-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-[4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]acetamide (CID 24865540) is N-[4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1.
What is the InChIKey of N-[4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]acetamide?
The InChIKey is KITBABOYAHPNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-19-6-11-23-24(26-19)4-3-5-25(23)31-17-16-28-12-14-29(15-13-28)18-21-7-9-22(10-8-21)27-20(2)30/h3-11H,12-18H2,1-2H3,(H,27,30).
What are the key properties of N-[4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]acetamide?
N-[4-[[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-[4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 24865540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).