5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]piperidin-2-one

C24H26N2O5 — CID 71241928

IUPAC5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]piperidin-2-one
SMILESCOc1cc(-c2cc(OCC3CCC(=O)NC3)c3cccnc3c2)cc(OC)c1OC
InChIInChI=1S/C24H26N2O5/c1-28-21-11-17(12-22(29-2)24(21)30-3)16-9-19-18(5-4-8-25-19)20(10-16)31-14-15-6-7-23(27)26-13-15/h4-5,8-12,15H,6-7,13-14H2,1-3H3,(H,26,27)
InChIKeyNLKLIVWMJUNTGN-UHFFFAOYSA-N
MW422.48 g/mol
LogP3.83
Rot. Bonds7

About 5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]piperidin-2-one

5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]piperidin-2-one (PubChem CID 71241928) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is 5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]piperidin-2-one.

Molecular Properties

Compound Name5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]piperidin-2-one
PubChem CID71241928
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]piperidin-2-one
SMILESCOc1cc(-c2cc(OCC3CCC(=O)NC3)c3cccnc3c2)cc(OC)c1OC
InChIInChI=1S/C24H26N2O5/c1-28-21-11-17(12-22(29-2)24(21)30-3)16-9-19-18(5-4-8-25-19)20(10-16)31-14-15-6-7-23(27)26-13-15/h4-5,8-12,15H,6-7,13-14H2,1-3H3,(H,26,27)
InChIKeyNLKLIVWMJUNTGN-UHFFFAOYSA-N
XLogP3.83
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]piperidin-2-one?
The IUPAC name of 5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]piperidin-2-one (CID 71241928) is 5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]piperidin-2-one.
What is the SMILES notation for 5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]piperidin-2-one?
The canonical SMILES for 5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]piperidin-2-one is COc1cc(-c2cc(OCC3CCC(=O)NC3)c3cccnc3c2)cc(OC)c1OC.
What is the InChIKey of 5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]piperidin-2-one?
The InChIKey is NLKLIVWMJUNTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-28-21-11-17(12-22(29-2)24(21)30-3)16-9-19-18(5-4-8-25-19)20(10-16)31-14-15-6-7-23(27)26-13-15/h4-5,8-12,15H,6-7,13-14H2,1-3H3,(H,26,27).
What are the key properties of 5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]piperidin-2-one?
5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]piperidin-2-one has a molecular weight of 422.48 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]piperidin-2-one is sourced from PubChem (CID 71241928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).