methyl 4-[[2-(3-methylpiperidin-1-yl)quinolin-8-yl]oxymethyl]benzoate

C24H26N2O3 — CID 16801826

IUPACmethyl 4-[[2-(3-methylpiperidin-1-yl)quinolin-8-yl]oxymethyl]benzoate
SMILESCOC(=O)c1ccc(COc2cccc3ccc(N4CCCC(C)C4)nc23)cc1
InChIInChI=1S/C24H26N2O3/c1-17-5-4-14-26(15-17)22-13-12-19-6-3-7-21(23(19)25-22)29-16-18-8-10-20(11-9-18)24(27)28-2/h3,6-13,17H,4-5,14-16H2,1-2H3
InChIKeyBZKZJMJLFBNXRD-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.84
Rot. Bonds5

About methyl 4-[[2-(3-methylpiperidin-1-yl)quinolin-8-yl]oxymethyl]benzoate

methyl 4-[[2-(3-methylpiperidin-1-yl)quinolin-8-yl]oxymethyl]benzoate (PubChem CID 16801826) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is methyl 4-[[2-(3-methylpiperidin-1-yl)quinolin-8-yl]oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(3-methylpiperidin-1-yl)quinolin-8-yl]oxymethyl]benzoate
PubChem CID16801826
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Namemethyl 4-[[2-(3-methylpiperidin-1-yl)quinolin-8-yl]oxymethyl]benzoate
SMILESCOC(=O)c1ccc(COc2cccc3ccc(N4CCCC(C)C4)nc23)cc1
InChIInChI=1S/C24H26N2O3/c1-17-5-4-14-26(15-17)22-13-12-19-6-3-7-21(23(19)25-22)29-16-18-8-10-20(11-9-18)24(27)28-2/h3,6-13,17H,4-5,14-16H2,1-2H3
InChIKeyBZKZJMJLFBNXRD-UHFFFAOYSA-N
XLogP4.84
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(3-methylpiperidin-1-yl)quinolin-8-yl]oxymethyl]benzoate?
The IUPAC name of methyl 4-[[2-(3-methylpiperidin-1-yl)quinolin-8-yl]oxymethyl]benzoate (CID 16801826) is methyl 4-[[2-(3-methylpiperidin-1-yl)quinolin-8-yl]oxymethyl]benzoate.
What is the SMILES notation for methyl 4-[[2-(3-methylpiperidin-1-yl)quinolin-8-yl]oxymethyl]benzoate?
The canonical SMILES for methyl 4-[[2-(3-methylpiperidin-1-yl)quinolin-8-yl]oxymethyl]benzoate is COC(=O)c1ccc(COc2cccc3ccc(N4CCCC(C)C4)nc23)cc1.
What is the InChIKey of methyl 4-[[2-(3-methylpiperidin-1-yl)quinolin-8-yl]oxymethyl]benzoate?
The InChIKey is BZKZJMJLFBNXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-17-5-4-14-26(15-17)22-13-12-19-6-3-7-21(23(19)25-22)29-16-18-8-10-20(11-9-18)24(27)28-2/h3,6-13,17H,4-5,14-16H2,1-2H3.
What are the key properties of methyl 4-[[2-(3-methylpiperidin-1-yl)quinolin-8-yl]oxymethyl]benzoate?
methyl 4-[[2-(3-methylpiperidin-1-yl)quinolin-8-yl]oxymethyl]benzoate has a molecular weight of 390.48 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(3-methylpiperidin-1-yl)quinolin-8-yl]oxymethyl]benzoate is sourced from PubChem (CID 16801826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).