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

C28H35N3O2 — CID 10310423

IUPAC4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine
SMILESCc1ccc2c(OCCN3CCC(Cc4cccc(N5CCOCC5)c4)CC3)cccc2n1
InChIInChI=1S/C28H35N3O2/c1-22-8-9-26-27(29-22)6-3-7-28(26)33-19-14-30-12-10-23(11-13-30)20-24-4-2-5-25(21-24)31-15-17-32-18-16-31/h2-9,21,23H,10-20H2,1H3
InChIKeyMADMFYSIRLKAHF-UHFFFAOYSA-N
MW445.61 g/mol
LogP4.71
Rot. Bonds7

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

4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine (PubChem CID 10310423) has the molecular formula C28H35N3O2 and a molecular weight of 445.61 g/mol. Its IUPAC name is 4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine.

Molecular Properties

Compound Name4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine
PubChem CID10310423
Molecular FormulaC28H35N3O2
Molecular Weight445.61 g/mol
Exact Mass445.27
IUPAC Name4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine
SMILESCc1ccc2c(OCCN3CCC(Cc4cccc(N5CCOCC5)c4)CC3)cccc2n1
InChIInChI=1S/C28H35N3O2/c1-22-8-9-26-27(29-22)6-3-7-28(26)33-19-14-30-12-10-23(11-13-30)20-24-4-2-5-25(21-24)31-15-17-32-18-16-31/h2-9,21,23H,10-20H2,1H3
InChIKeyMADMFYSIRLKAHF-UHFFFAOYSA-N
XLogP4.71
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.61
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine?
The IUPAC name of 4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine (CID 10310423) is 4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine.
What is the SMILES notation for 4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine?
The canonical SMILES for 4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine is Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCOCC5)c4)CC3)cccc2n1.
What is the InChIKey of 4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine?
The InChIKey is MADMFYSIRLKAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O2/c1-22-8-9-26-27(29-22)6-3-7-28(26)33-19-14-30-12-10-23(11-13-30)20-24-4-2-5-25(21-24)31-15-17-32-18-16-31/h2-9,21,23H,10-20H2,1H3.
What are the key properties of 4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine?
4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine has a molecular weight of 445.61 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine is sourced from PubChem (CID 10310423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).