2-[1-(2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-yl)ethyl]quinoline

C18H15NO2 — CID 162787754

IUPAC2-[1-(2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-yl)ethyl]quinoline
SMILESCC(c1ccc2ccccc2n1)c1ccc2cc1OCO2
InChIInChI=1S/C18H15NO2/c1-12(15-8-7-14-10-18(15)21-11-20-14)16-9-6-13-4-2-3-5-17(13)19-16/h2-10,12H,11H2,1H3
InChIKeyFNOZNDDPOQEJSA-UHFFFAOYSA-N
MW277.32 g/mol
LogP4.12
Rot. Bonds2

About 2-[1-(2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-yl)ethyl]quinoline

2-[1-(2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-yl)ethyl]quinoline (PubChem CID 162787754) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[1-(2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-yl)ethyl]quinoline.

Molecular Properties

Compound Name2-[1-(2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-yl)ethyl]quinoline
PubChem CID162787754
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name2-[1-(2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-yl)ethyl]quinoline
SMILESCC(c1ccc2ccccc2n1)c1ccc2cc1OCO2
InChIInChI=1S/C18H15NO2/c1-12(15-8-7-14-10-18(15)21-11-20-14)16-9-6-13-4-2-3-5-17(13)19-16/h2-10,12H,11H2,1H3
InChIKeyFNOZNDDPOQEJSA-UHFFFAOYSA-N
XLogP4.12
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-yl)ethyl]quinoline?
The IUPAC name of 2-[1-(2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-yl)ethyl]quinoline (CID 162787754) is 2-[1-(2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-yl)ethyl]quinoline.
What is the SMILES notation for 2-[1-(2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-yl)ethyl]quinoline?
The canonical SMILES for 2-[1-(2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-yl)ethyl]quinoline is CC(c1ccc2ccccc2n1)c1ccc2cc1OCO2.
What is the InChIKey of 2-[1-(2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-yl)ethyl]quinoline?
The InChIKey is FNOZNDDPOQEJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-12(15-8-7-14-10-18(15)21-11-20-14)16-9-6-13-4-2-3-5-17(13)19-16/h2-10,12H,11H2,1H3.
What are the key properties of 2-[1-(2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-yl)ethyl]quinoline?
2-[1-(2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-yl)ethyl]quinoline has a molecular weight of 277.32 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-yl)ethyl]quinoline is sourced from PubChem (CID 162787754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).