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

C27H34N4O2 — CID 90877133

IUPACN-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
InChIInChI=1S/C27H34N4O2/c1-3-6-27(32)29-23-8-4-7-22(19-23)20-31-15-13-30(14-16-31)17-18-33-26-10-5-9-25-24(26)12-11-21(2)28-25/h4-5,7-12,19H,3,6,13-18,20H2,1-2H3,(H,29,32)
InChIKeyPVRMYIDGHWAVIH-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.48
Rot. Bonds9

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

N-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]butanamide (PubChem CID 90877133) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is N-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]butanamide
PubChem CID90877133
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC NameN-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
InChIInChI=1S/C27H34N4O2/c1-3-6-27(32)29-23-8-4-7-22(19-23)20-31-15-13-30(14-16-31)17-18-33-26-10-5-9-25-24(26)12-11-21(2)28-25/h4-5,7-12,19H,3,6,13-18,20H2,1-2H3,(H,29,32)
InChIKeyPVRMYIDGHWAVIH-UHFFFAOYSA-N
XLogP4.48
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]butanamide with MolForge

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Related Compounds

2-chloro-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide
CID 69353335
2-(dimethylamino)-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide
CID 10127673
4-[2-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenoxy]ethyl]morpholine
CID 10195770
4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]-2-nitrophenol
CID 11464355
N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 60755428
6-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one
CID 10159927
N-[3-[[2-hydroxyethyl(methyl)amino]-[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide
CID 69353213
4-methyl-6-[[4-[3-(2-methylquinolin-5-yl)oxypropyl]piperazin-1-yl]methyl]-1,4-benzoxazin-3-one
CID 10139485
N-cyclopentyl-3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]benzamide
CID 10195487
5-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]quinazoline
CID 11235335
N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]octanamide
CID 60580118
methyl 4-[[3-[[2-(6-methyl-3-pyridinyl)acetyl]amino]phenyl]methyl]piperazine-1-carboxylate
CID 160973082

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]butanamide?
The IUPAC name of N-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]butanamide (CID 90877133) is N-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]butanamide.
What is the SMILES notation for N-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]butanamide?
The canonical SMILES for N-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]butanamide is CCCC(=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]butanamide?
The InChIKey is PVRMYIDGHWAVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-3-6-27(32)29-23-8-4-7-22(19-23)20-31-15-13-30(14-16-31)17-18-33-26-10-5-9-25-24(26)12-11-21(2)28-25/h4-5,7-12,19H,3,6,13-18,20H2,1-2H3,(H,29,32).
What are the key properties of N-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]butanamide?
N-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]butanamide has a molecular weight of 446.60 g/mol, XLogP of 4.48, 9 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]butanamide is sourced from PubChem (CID 90877133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).