2-[2-benzyl-4-(2,8-dimethoxyquinolin-5-yl)piperazin-1-yl]acetamide

C24H28N4O3 — CID 66825474

IUPAC2-[2-benzyl-4-(2,8-dimethoxyquinolin-5-yl)piperazin-1-yl]acetamide
SMILESCOc1ccc2c(N3CCN(CC(N)=O)C(Cc4ccccc4)C3)ccc(OC)c2n1
InChIInChI=1S/C24H28N4O3/c1-30-21-10-9-20(19-8-11-23(31-2)26-24(19)21)28-13-12-27(16-22(25)29)18(15-28)14-17-6-4-3-5-7-17/h3-11,18H,12-16H2,1-2H3,(H2,25,29)
InChIKeyMLJFEWDBFJLLHD-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.47
Rot. Bonds7

About 2-[2-benzyl-4-(2,8-dimethoxyquinolin-5-yl)piperazin-1-yl]acetamide

2-[2-benzyl-4-(2,8-dimethoxyquinolin-5-yl)piperazin-1-yl]acetamide (PubChem CID 66825474) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-[2-benzyl-4-(2,8-dimethoxyquinolin-5-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-benzyl-4-(2,8-dimethoxyquinolin-5-yl)piperazin-1-yl]acetamide
PubChem CID66825474
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name2-[2-benzyl-4-(2,8-dimethoxyquinolin-5-yl)piperazin-1-yl]acetamide
SMILESCOc1ccc2c(N3CCN(CC(N)=O)C(Cc4ccccc4)C3)ccc(OC)c2n1
InChIInChI=1S/C24H28N4O3/c1-30-21-10-9-20(19-8-11-23(31-2)26-24(19)21)28-13-12-27(16-22(25)29)18(15-28)14-17-6-4-3-5-7-17/h3-11,18H,12-16H2,1-2H3,(H2,25,29)
InChIKeyMLJFEWDBFJLLHD-UHFFFAOYSA-N
XLogP2.47
TPSA80.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-benzyl-4-(8-methoxy-2-methylquinolin-5-yl)piperazine-1-sulfonamide
CID 58188971
2-[2-benzyl-4-[3,4-bis(difluoromethoxy)phenyl]piperazin-1-yl]acetamide
CID 67292661
1-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]propan-2-one
CID 66824781
2-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]-N'-methylacetohydrazide
CID 66826593
2-[(2S)-2-benzyl-4-(3-cyclobutyloxy-4-methoxyphenyl)piperazin-1-yl]-1-(1H-pyrrol-3-yl)ethanone
CID 123468996
2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetamide
CID 47280768
2-[(2S)-2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]acetamide
CID 97113526
2-[4,7,10-tris(2-amino-2-oxoethyl)-6-[[4-(2,2-dimethylpropyl)phenyl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 158494578
2-methoxy-8-phenylmethoxyquinoline-5-carbonyl iodide
CID 143776854
2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(pyridin-2-ylmethyl)piperazine
CID 67272024
3-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]propan-1-ol
CID 66824816
5-[[(2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
CID 52919397

Frequently Asked Questions

What is the IUPAC name of 2-[2-benzyl-4-(2,8-dimethoxyquinolin-5-yl)piperazin-1-yl]acetamide?
The IUPAC name of 2-[2-benzyl-4-(2,8-dimethoxyquinolin-5-yl)piperazin-1-yl]acetamide (CID 66825474) is 2-[2-benzyl-4-(2,8-dimethoxyquinolin-5-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[2-benzyl-4-(2,8-dimethoxyquinolin-5-yl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-[2-benzyl-4-(2,8-dimethoxyquinolin-5-yl)piperazin-1-yl]acetamide is COc1ccc2c(N3CCN(CC(N)=O)C(Cc4ccccc4)C3)ccc(OC)c2n1.
What is the InChIKey of 2-[2-benzyl-4-(2,8-dimethoxyquinolin-5-yl)piperazin-1-yl]acetamide?
The InChIKey is MLJFEWDBFJLLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-30-21-10-9-20(19-8-11-23(31-2)26-24(19)21)28-13-12-27(16-22(25)29)18(15-28)14-17-6-4-3-5-7-17/h3-11,18H,12-16H2,1-2H3,(H2,25,29).
What are the key properties of 2-[2-benzyl-4-(2,8-dimethoxyquinolin-5-yl)piperazin-1-yl]acetamide?
2-[2-benzyl-4-(2,8-dimethoxyquinolin-5-yl)piperazin-1-yl]acetamide has a molecular weight of 420.51 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-benzyl-4-(2,8-dimethoxyquinolin-5-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 66825474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).