2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine

C30H39N3O2 — CID 85335370

IUPAC2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine
SMILESCc1ccc2c(OCCN3CCC(Cc4cccc(N5CC(C)OC(C)C5)c4)CC3)cccc2n1
InChIInChI=1S/C30H39N3O2/c1-22-10-11-28-29(31-22)8-5-9-30(28)34-17-16-32-14-12-25(13-15-32)18-26-6-4-7-27(19-26)33-20-23(2)35-24(3)21-33/h4-11,19,23-25H,12-18,20-21H2,1-3H3
InChIKeyXPWKGSMQZILPKZ-UHFFFAOYSA-N
MW473.66 g/mol
LogP5.49
Rot. Bonds7

About 2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine

2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine (PubChem CID 85335370) has the molecular formula C30H39N3O2 and a molecular weight of 473.66 g/mol. Its IUPAC name is 2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine
PubChem CID85335370
Molecular FormulaC30H39N3O2
Molecular Weight473.66 g/mol
Exact Mass473.30
IUPAC Name2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine
SMILESCc1ccc2c(OCCN3CCC(Cc4cccc(N5CC(C)OC(C)C5)c4)CC3)cccc2n1
InChIInChI=1S/C30H39N3O2/c1-22-10-11-28-29(31-22)8-5-9-30(28)34-17-16-32-14-12-25(13-15-32)18-26-6-4-7-27(19-26)33-20-23(2)35-24(3)21-33/h4-11,19,23-25H,12-18,20-21H2,1-3H3
InChIKeyXPWKGSMQZILPKZ-UHFFFAOYSA-N
XLogP5.49
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.66
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine with MolForge

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Related Compounds

N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]methanesulfonamide
CID 24865725
6-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 10309968
N-cyclopentyl-3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]benzamide
CID 10195487
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
6-[[1-[3-(2-methylquinolin-5-yl)oxypropyl]piperidin-4-yl]methyl]-4H-1,4-benzoxazin-3-one
CID 10225553
2-methyl-5-[2-[4-[[3-(3-methylpiperazin-1-yl)phenyl]methylidene]piperidin-1-yl]ethoxy]quinoline
CID 69352805
4-[2-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenoxy]ethyl]morpholine
CID 10195770
5-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]quinazoline
CID 11235335
6-[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]oxy-4H-1,4-benzoxazin-3-one
CID 10274490
5-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-ylidene]methyl]-2-(trifluoromethyl)aniline
CID 69353177
N-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]butanamide
CID 90877133

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine (CID 85335370) is 2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine is Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CC(C)OC(C)C5)c4)CC3)cccc2n1.
What is the InChIKey of 2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine?
The InChIKey is XPWKGSMQZILPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N3O2/c1-22-10-11-28-29(31-22)8-5-9-30(28)34-17-16-32-14-12-25(13-15-32)18-26-6-4-7-27(19-26)33-20-23(2)35-24(3)21-33/h4-11,19,23-25H,12-18,20-21H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine?
2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine has a molecular weight of 473.66 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine is sourced from PubChem (CID 85335370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).