2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carbonitrile

C14H11N5O — CID 103744384

IUPAC2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1NCCc1ncno1
InChIInChI=1S/C14H11N5O/c15-8-11-7-10-3-1-2-4-12(10)19-14(11)16-6-5-13-17-9-18-20-13/h1-4,7,9H,5-6H2,(H,16,19)
InChIKeyDZDICWGOTHXLAU-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.14
Rot. Bonds4

About 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carbonitrile

2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carbonitrile (PubChem CID 103744384) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carbonitrile
PubChem CID103744384
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1NCCc1ncno1
InChIInChI=1S/C14H11N5O/c15-8-11-7-10-3-1-2-4-12(10)19-14(11)16-6-5-13-17-9-18-20-13/h1-4,7,9H,5-6H2,(H,16,19)
InChIKeyDZDICWGOTHXLAU-UHFFFAOYSA-N
XLogP2.14
TPSA87.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carbonitrile?
The IUPAC name of 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carbonitrile (CID 103744384) is 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carbonitrile.
What is the SMILES notation for 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carbonitrile?
The canonical SMILES for 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carbonitrile is N#Cc1cc2ccccc2nc1NCCc1ncno1.
What is the InChIKey of 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carbonitrile?
The InChIKey is DZDICWGOTHXLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c15-8-11-7-10-3-1-2-4-12(10)19-14(11)16-6-5-13-17-9-18-20-13/h1-4,7,9H,5-6H2,(H,16,19).
What are the key properties of 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carbonitrile?
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carbonitrile has a molecular weight of 265.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carbonitrile is sourced from PubChem (CID 103744384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).