N,N-diethyl-2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]acetamide

C20H28N4O — CID 133467701

IUPACN,N-diethyl-2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(c2ccnc3ccc(C)cc23)CC1
InChIInChI=1S/C20H28N4O/c1-4-23(5-2)20(25)15-22-10-12-24(13-11-22)19-8-9-21-18-7-6-16(3)14-17(18)19/h6-9,14H,4-5,10-13,15H2,1-3H3
InChIKeyAHROQEKJLFQVSJ-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.53
Rot. Bonds5

About N,N-diethyl-2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]acetamide

N,N-diethyl-2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]acetamide (PubChem CID 133467701) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]acetamide
PubChem CID133467701
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN,N-diethyl-2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(c2ccnc3ccc(C)cc23)CC1
InChIInChI=1S/C20H28N4O/c1-4-23(5-2)20(25)15-22-10-12-24(13-11-22)19-8-9-21-18-7-6-16(3)14-17(18)19/h6-9,14H,4-5,10-13,15H2,1-3H3
InChIKeyAHROQEKJLFQVSJ-UHFFFAOYSA-N
XLogP2.53
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]acetamide 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 N,N-diethyl-2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]acetamide (CID 133467701) is N,N-diethyl-2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]acetamide is CCN(CC)C(=O)CN1CCN(c2ccnc3ccc(C)cc23)CC1.
What is the InChIKey of N,N-diethyl-2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]acetamide?
The InChIKey is AHROQEKJLFQVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-4-23(5-2)20(25)15-22-10-12-24(13-11-22)19-8-9-21-18-7-6-16(3)14-17(18)19/h6-9,14H,4-5,10-13,15H2,1-3H3.
What are the key properties of N,N-diethyl-2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]acetamide?
N,N-diethyl-2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]acetamide has a molecular weight of 340.47 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 133467701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).