8-[2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethoxy]quinoline

C28H26N2O — CID 20595541

IUPAC8-[2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethoxy]quinoline
SMILESC1=C(c2ccc3ccccc3c2)CC2CCC1N2CCOc1cccc2cccnc12
InChIInChI=1S/C28H26N2O/c1-2-6-22-17-23(11-10-20(22)5-1)24-18-25-12-13-26(19-24)30(25)15-16-31-27-9-3-7-21-8-4-14-29-28(21)27/h1-11,14,17-18,25-26H,12-13,15-16,19H2
InChIKeyZAEWLZXHWVJTGL-UHFFFAOYSA-N
MW406.53 g/mol
LogP6.09
Rot. Bonds5

About 8-[2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethoxy]quinoline

8-[2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethoxy]quinoline (PubChem CID 20595541) has the molecular formula C28H26N2O and a molecular weight of 406.53 g/mol. Its IUPAC name is 8-[2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethoxy]quinoline.

Molecular Properties

Compound Name8-[2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethoxy]quinoline
PubChem CID20595541
Molecular FormulaC28H26N2O
Molecular Weight406.53 g/mol
Exact Mass406.20
IUPAC Name8-[2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethoxy]quinoline
SMILESC1=C(c2ccc3ccccc3c2)CC2CCC1N2CCOc1cccc2cccnc12
InChIInChI=1S/C28H26N2O/c1-2-6-22-17-23(11-10-20(22)5-1)24-18-25-12-13-26(19-24)30(25)15-16-31-27-9-3-7-21-8-4-14-29-28(21)27/h1-11,14,17-18,25-26H,12-13,15-16,19H2
InChIKeyZAEWLZXHWVJTGL-UHFFFAOYSA-N
XLogP6.09
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethoxy]quinoline?
The IUPAC name of 8-[2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethoxy]quinoline (CID 20595541) is 8-[2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethoxy]quinoline.
What is the SMILES notation for 8-[2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethoxy]quinoline?
The canonical SMILES for 8-[2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethoxy]quinoline is C1=C(c2ccc3ccccc3c2)CC2CCC1N2CCOc1cccc2cccnc12.
What is the InChIKey of 8-[2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethoxy]quinoline?
The InChIKey is ZAEWLZXHWVJTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O/c1-2-6-22-17-23(11-10-20(22)5-1)24-18-25-12-13-26(19-24)30(25)15-16-31-27-9-3-7-21-8-4-14-29-28(21)27/h1-11,14,17-18,25-26H,12-13,15-16,19H2.
What are the key properties of 8-[2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethoxy]quinoline?
8-[2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethoxy]quinoline has a molecular weight of 406.53 g/mol, XLogP of 6.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethoxy]quinoline is sourced from PubChem (CID 20595541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).