6-ethenyl-2-(oxan-4-yl)quinoline

C16H17NO — CID 170708021

IUPAC6-ethenyl-2-(oxan-4-yl)quinoline
SMILESC=Cc1ccc2nc(C3CCOCC3)ccc2c1
InChIInChI=1S/C16H17NO/c1-2-12-3-5-16-14(11-12)4-6-15(17-16)13-7-9-18-10-8-13/h2-6,11,13H,1,7-10H2
InChIKeyMPLSTQHUCFAFGQ-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.77
Rot. Bonds2

About 6-ethenyl-2-(oxan-4-yl)quinoline

6-ethenyl-2-(oxan-4-yl)quinoline (PubChem CID 170708021) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-ethenyl-2-(oxan-4-yl)quinoline.

Molecular Properties

Compound Name6-ethenyl-2-(oxan-4-yl)quinoline
PubChem CID170708021
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name6-ethenyl-2-(oxan-4-yl)quinoline
SMILESC=Cc1ccc2nc(C3CCOCC3)ccc2c1
InChIInChI=1S/C16H17NO/c1-2-12-3-5-16-14(11-12)4-6-15(17-16)13-7-9-18-10-8-13/h2-6,11,13H,1,7-10H2
InChIKeyMPLSTQHUCFAFGQ-UHFFFAOYSA-N
XLogP3.77
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-2-(oxan-4-yl)quinoline?
The IUPAC name of 6-ethenyl-2-(oxan-4-yl)quinoline (CID 170708021) is 6-ethenyl-2-(oxan-4-yl)quinoline.
What is the SMILES notation for 6-ethenyl-2-(oxan-4-yl)quinoline?
The canonical SMILES for 6-ethenyl-2-(oxan-4-yl)quinoline is C=Cc1ccc2nc(C3CCOCC3)ccc2c1.
What is the InChIKey of 6-ethenyl-2-(oxan-4-yl)quinoline?
The InChIKey is MPLSTQHUCFAFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-2-12-3-5-16-14(11-12)4-6-15(17-16)13-7-9-18-10-8-13/h2-6,11,13H,1,7-10H2.
What are the key properties of 6-ethenyl-2-(oxan-4-yl)quinoline?
6-ethenyl-2-(oxan-4-yl)quinoline has a molecular weight of 239.32 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-2-(oxan-4-yl)quinoline is sourced from PubChem (CID 170708021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).