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

C26H32N2O5 — CID 144516320

IUPACethane;5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]piperidin-2-one
SMILESCC.COc1cc(-c2cc(OCC3CCC(=O)NC3)c3cccnc3c2)cc(OC)c1OC
InChIInChI=1S/C24H26N2O5.C2H6/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;1-2/h4-5,8-12,15H,6-7,13-14H2,1-3H3,(H,26,27);1-2H3
InChIKeyXXQWOXWNAMYCQA-UHFFFAOYSA-N
MW452.55 g/mol
LogP4.86
Rot. Bonds7

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

ethane;5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]piperidin-2-one (PubChem CID 144516320) has the molecular formula C26H32N2O5 and a molecular weight of 452.55 g/mol. Its IUPAC name is ethane;5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]piperidin-2-one.

Molecular Properties

Compound Nameethane;5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]piperidin-2-one
PubChem CID144516320
Molecular FormulaC26H32N2O5
Molecular Weight452.55 g/mol
Exact Mass452.23
IUPAC Nameethane;5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]piperidin-2-one
SMILESCC.COc1cc(-c2cc(OCC3CCC(=O)NC3)c3cccnc3c2)cc(OC)c1OC
InChIInChI=1S/C24H26N2O5.C2H6/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;1-2/h4-5,8-12,15H,6-7,13-14H2,1-3H3,(H,26,27);1-2H3
InChIKeyXXQWOXWNAMYCQA-UHFFFAOYSA-N
XLogP4.86
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethane;5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]piperidin-2-one?
The IUPAC name of ethane;5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]piperidin-2-one (CID 144516320) is ethane;5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]piperidin-2-one.
What is the SMILES notation for ethane;5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]piperidin-2-one?
The canonical SMILES for ethane;5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]piperidin-2-one is CC.COc1cc(-c2cc(OCC3CCC(=O)NC3)c3cccnc3c2)cc(OC)c1OC.
What is the InChIKey of ethane;5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]piperidin-2-one?
The InChIKey is XXQWOXWNAMYCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5.C2H6/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;1-2/h4-5,8-12,15H,6-7,13-14H2,1-3H3,(H,26,27);1-2H3.
What are the key properties of ethane;5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]piperidin-2-one?
ethane;5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]piperidin-2-one has a molecular weight of 452.55 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]piperidin-2-one is sourced from PubChem (CID 144516320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).