[1-[2-(2-oxo-4-phenylmethoxyquinolin-1-yl)ethyl]piperidin-4-yl] N-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)carbamate

C37H43N3O6 — CID 123604420

About [1-[2-(2-oxo-4-phenylmethoxyquinolin-1-yl)ethyl]piperidin-4-yl] N-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)carbamate

[1-[2-(2-oxo-4-phenylmethoxyquinolin-1-yl)ethyl]piperidin-4-yl] N-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)carbamate (PubChem CID 123604420) has the molecular formula C37H43N3O6 and a molecular weight of 625.77 g/mol. Its IUPAC name is [1-[2-(2-oxo-4-phenylmethoxyquinolin-1-yl)ethyl]piperidin-4-yl] N-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)carbamate.

Molecular Properties

• Compound Name: [1-[2-(2-oxo-4-phenylmethoxyquinolin-1-yl)ethyl]piperidin-4-yl] N-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)carbamate
• PubChem CID: 123604420
• Molecular Formula: C37H43N3O6
• Molecular Weight: 625.77 g/mol
• Exact Mass: 625.32
• IUPAC Name: [1-[2-(2-oxo-4-phenylmethoxyquinolin-1-yl)ethyl]piperidin-4-yl] N-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)carbamate
• SMILES: CC(C)(C)N(Cc1ccc2c(c1)OCCO2)C(=O)OC1CCN(CCn2c(=O)cc(OCc3ccccc3)c3ccccc32)CC1
• InChI: InChI=1S/C37H43N3O6/c1-37(2,3)40(25-28-13-14-32-34(23-28)44-22-21-43-32)36(42)46-29-15-17-38(18-16-29)19-20-39-31-12-8-7-11-30(31)33(24-35(39)41)45-26-27-9-5-4-6-10-27/h4-14,23-24,29H,15-22,25-26H2,1-3H3
• InChIKey: RAZHFNWAHFEIBX-UHFFFAOYSA-N
• XLogP: 6.25
• TPSA: 82.47 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.77
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-oxo-4-phenylmethoxyquinolin-1-yl)ethyl]piperidin-4-yl] N-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)carbamate?

The IUPAC name of [1-[2-(2-oxo-4-phenylmethoxyquinolin-1-yl)ethyl]piperidin-4-yl] N-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)carbamate (CID 123604420) is [1-[2-(2-oxo-4-phenylmethoxyquinolin-1-yl)ethyl]piperidin-4-yl] N-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)carbamate.

What is the SMILES notation for [1-[2-(2-oxo-4-phenylmethoxyquinolin-1-yl)ethyl]piperidin-4-yl] N-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)carbamate?

The canonical SMILES for [1-[2-(2-oxo-4-phenylmethoxyquinolin-1-yl)ethyl]piperidin-4-yl] N-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)carbamate is CC(C)(C)N(Cc1ccc2c(c1)OCCO2)C(=O)OC1CCN(CCn2c(=O)cc(OCc3ccccc3)c3ccccc32)CC1.

What is the InChIKey of [1-[2-(2-oxo-4-phenylmethoxyquinolin-1-yl)ethyl]piperidin-4-yl] N-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)carbamate?

The InChIKey is RAZHFNWAHFEIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H43N3O6/c1-37(2,3)40(25-28-13-14-32-34(23-28)44-22-21-43-32)36(42)46-29-15-17-38(18-16-29)19-20-39-31-12-8-7-11-30(31)33(24-35(39)41)45-26-27-9-5-4-6-10-27/h4-14,23-24,29H,15-22,25-26H2,1-3H3.

What are the key properties of [1-[2-(2-oxo-4-phenylmethoxyquinolin-1-yl)ethyl]piperidin-4-yl] N-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)carbamate?

[1-[2-(2-oxo-4-phenylmethoxyquinolin-1-yl)ethyl]piperidin-4-yl] N-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)carbamate has a molecular weight of 625.77 g/mol, XLogP of 6.25, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-(2-oxo-4-phenylmethoxyquinolin-1-yl)ethyl]piperidin-4-yl] N-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)carbamate is sourced from PubChem (CID 123604420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).