4-[2-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenoxy]ethyl]morpholine

C29H38N4O3 — CID 10195770

IUPAC4-[2-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenoxy]ethyl]morpholine
SMILESCc1ccc2c(OCCN3CCN(Cc4cccc(OCCN5CCOCC5)c4)CC3)cccc2n1
InChIInChI=1S/C29H38N4O3/c1-24-8-9-27-28(30-24)6-3-7-29(27)36-21-17-31-10-12-33(13-11-31)23-25-4-2-5-26(22-25)35-20-16-32-14-18-34-19-15-32/h2-9,22H,10-21,23H2,1H3
InChIKeyMKDPALPXXRQGJJ-UHFFFAOYSA-N
MW490.65 g/mol
LogP3.45
Rot. Bonds10

About 4-[2-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenoxy]ethyl]morpholine

4-[2-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenoxy]ethyl]morpholine (PubChem CID 10195770) has the molecular formula C29H38N4O3 and a molecular weight of 490.65 g/mol. Its IUPAC name is 4-[2-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenoxy]ethyl]morpholine
PubChem CID10195770
Molecular FormulaC29H38N4O3
Molecular Weight490.65 g/mol
Exact Mass490.29
IUPAC Name4-[2-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenoxy]ethyl]morpholine
SMILESCc1ccc2c(OCCN3CCN(Cc4cccc(OCCN5CCOCC5)c4)CC3)cccc2n1
InChIInChI=1S/C29H38N4O3/c1-24-8-9-27-28(30-24)6-3-7-29(27)36-21-17-31-10-12-33(13-11-31)23-25-4-2-5-26(22-25)35-20-16-32-14-18-34-19-15-32/h2-9,22H,10-21,23H2,1H3
InChIKeyMKDPALPXXRQGJJ-UHFFFAOYSA-N
XLogP3.45
TPSA50.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenoxy]ethyl]morpholine with MolForge

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Related Compounds

N-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]butanamide
CID 90877133
4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]-2-nitrophenol
CID 11464355
6-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one
CID 10159927
5-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]quinazoline
CID 11235335
4-methyl-6-[[4-[3-(2-methylquinolin-5-yl)oxypropyl]piperazin-1-yl]methyl]-1,4-benzoxazin-3-one
CID 10139485
1-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazine-2-carboxylic acid
CID 91839442
[3-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 7164622
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
4-[2-[3-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenoxy]ethyl]morpholine
CID 133117277
4-[2-[3-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]phenoxy]ethyl]morpholine
CID 77084965
4-[2-(5-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 142855326
2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine
CID 85335370

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenoxy]ethyl]morpholine (CID 10195770) is 4-[2-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenoxy]ethyl]morpholine is Cc1ccc2c(OCCN3CCN(Cc4cccc(OCCN5CCOCC5)c4)CC3)cccc2n1.
What is the InChIKey of 4-[2-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenoxy]ethyl]morpholine?
The InChIKey is MKDPALPXXRQGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O3/c1-24-8-9-27-28(30-24)6-3-7-29(27)36-21-17-31-10-12-33(13-11-31)23-25-4-2-5-26(22-25)35-20-16-32-14-18-34-19-15-32/h2-9,22H,10-21,23H2,1H3.
What are the key properties of 4-[2-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenoxy]ethyl]morpholine?
4-[2-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenoxy]ethyl]morpholine has a molecular weight of 490.65 g/mol, XLogP of 3.45, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenoxy]ethyl]morpholine is sourced from PubChem (CID 10195770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).