2-quinolin-2-yloxane-3-carbonitrile

C15H14N2O — CID 79368028

IUPAC2-quinolin-2-yloxane-3-carbonitrile
SMILESN#CC1CCCOC1c1ccc2ccccc2n1
InChIInChI=1S/C15H14N2O/c16-10-12-5-3-9-18-15(12)14-8-7-11-4-1-2-6-13(11)17-14/h1-2,4,6-8,12,15H,3,5,9H2
InChIKeyBCEIATXNGUHWHL-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.23
Rot. Bonds1

About 2-quinolin-2-yloxane-3-carbonitrile

2-quinolin-2-yloxane-3-carbonitrile (PubChem CID 79368028) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-quinolin-2-yloxane-3-carbonitrile.

Molecular Properties

Compound Name2-quinolin-2-yloxane-3-carbonitrile
PubChem CID79368028
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-quinolin-2-yloxane-3-carbonitrile
SMILESN#CC1CCCOC1c1ccc2ccccc2n1
InChIInChI=1S/C15H14N2O/c16-10-12-5-3-9-18-15(12)14-8-7-11-4-1-2-6-13(11)17-14/h1-2,4,6-8,12,15H,3,5,9H2
InChIKeyBCEIATXNGUHWHL-UHFFFAOYSA-N
XLogP3.23
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-quinolin-2-yloxane-3-carbonitrile?
The IUPAC name of 2-quinolin-2-yloxane-3-carbonitrile (CID 79368028) is 2-quinolin-2-yloxane-3-carbonitrile.
What is the SMILES notation for 2-quinolin-2-yloxane-3-carbonitrile?
The canonical SMILES for 2-quinolin-2-yloxane-3-carbonitrile is N#CC1CCCOC1c1ccc2ccccc2n1.
What is the InChIKey of 2-quinolin-2-yloxane-3-carbonitrile?
The InChIKey is BCEIATXNGUHWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c16-10-12-5-3-9-18-15(12)14-8-7-11-4-1-2-6-13(11)17-14/h1-2,4,6-8,12,15H,3,5,9H2.
What are the key properties of 2-quinolin-2-yloxane-3-carbonitrile?
2-quinolin-2-yloxane-3-carbonitrile has a molecular weight of 238.29 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-2-yloxane-3-carbonitrile is sourced from PubChem (CID 79368028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).