1-(furan-3-ylmethyl)-4-quinolin-6-yloxypiperidine-4-carboxylic acid

C20H20N2O4 — CID 70781360

IUPAC1-(furan-3-ylmethyl)-4-quinolin-6-yloxypiperidine-4-carboxylic acid
SMILESO=C(O)C1(Oc2ccc3ncccc3c2)CCN(Cc2ccoc2)CC1
InChIInChI=1S/C20H20N2O4/c23-19(24)20(6-9-22(10-7-20)13-15-5-11-25-14-15)26-17-3-4-18-16(12-17)2-1-8-21-18/h1-5,8,11-12,14H,6-7,9-10,13H2,(H,23,24)
InChIKeyLZIWPIJHQCHRCY-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.33
Rot. Bonds5

About 1-(furan-3-ylmethyl)-4-quinolin-6-yloxypiperidine-4-carboxylic acid

1-(furan-3-ylmethyl)-4-quinolin-6-yloxypiperidine-4-carboxylic acid (PubChem CID 70781360) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-4-quinolin-6-yloxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-4-quinolin-6-yloxypiperidine-4-carboxylic acid
PubChem CID70781360
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name1-(furan-3-ylmethyl)-4-quinolin-6-yloxypiperidine-4-carboxylic acid
SMILESO=C(O)C1(Oc2ccc3ncccc3c2)CCN(Cc2ccoc2)CC1
InChIInChI=1S/C20H20N2O4/c23-19(24)20(6-9-22(10-7-20)13-15-5-11-25-14-15)26-17-3-4-18-16(12-17)2-1-8-21-18/h1-5,8,11-12,14H,6-7,9-10,13H2,(H,23,24)
InChIKeyLZIWPIJHQCHRCY-UHFFFAOYSA-N
XLogP3.33
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-4-quinolin-6-yloxypiperidine-4-carboxylic acid?
The IUPAC name of 1-(furan-3-ylmethyl)-4-quinolin-6-yloxypiperidine-4-carboxylic acid (CID 70781360) is 1-(furan-3-ylmethyl)-4-quinolin-6-yloxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(furan-3-ylmethyl)-4-quinolin-6-yloxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-(furan-3-ylmethyl)-4-quinolin-6-yloxypiperidine-4-carboxylic acid is O=C(O)C1(Oc2ccc3ncccc3c2)CCN(Cc2ccoc2)CC1.
What is the InChIKey of 1-(furan-3-ylmethyl)-4-quinolin-6-yloxypiperidine-4-carboxylic acid?
The InChIKey is LZIWPIJHQCHRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-19(24)20(6-9-22(10-7-20)13-15-5-11-25-14-15)26-17-3-4-18-16(12-17)2-1-8-21-18/h1-5,8,11-12,14H,6-7,9-10,13H2,(H,23,24).
What are the key properties of 1-(furan-3-ylmethyl)-4-quinolin-6-yloxypiperidine-4-carboxylic acid?
1-(furan-3-ylmethyl)-4-quinolin-6-yloxypiperidine-4-carboxylic acid has a molecular weight of 352.39 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-4-quinolin-6-yloxypiperidine-4-carboxylic acid is sourced from PubChem (CID 70781360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).