4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzonitrile

C18H15N3O — CID 68759568

IUPAC4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzonitrile
SMILESCC(N)c1ccc2nc(Oc3ccc(C#N)cc3)ccc2c1
InChIInChI=1S/C18H15N3O/c1-12(20)14-4-8-17-15(10-14)5-9-18(21-17)22-16-6-2-13(11-19)3-7-16/h2-10,12H,20H2,1H3
InChIKeyGKKSWHLQUUGZIK-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.92
Rot. Bonds3

About 4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzonitrile

4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzonitrile (PubChem CID 68759568) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzonitrile.

Molecular Properties

Compound Name4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzonitrile
PubChem CID68759568
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzonitrile
SMILESCC(N)c1ccc2nc(Oc3ccc(C#N)cc3)ccc2c1
InChIInChI=1S/C18H15N3O/c1-12(20)14-4-8-17-15(10-14)5-9-18(21-17)22-16-6-2-13(11-19)3-7-16/h2-10,12H,20H2,1H3
InChIKeyGKKSWHLQUUGZIK-UHFFFAOYSA-N
XLogP3.92
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzonitrile?
The IUPAC name of 4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzonitrile (CID 68759568) is 4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzonitrile.
What is the SMILES notation for 4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzonitrile?
The canonical SMILES for 4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzonitrile is CC(N)c1ccc2nc(Oc3ccc(C#N)cc3)ccc2c1.
What is the InChIKey of 4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzonitrile?
The InChIKey is GKKSWHLQUUGZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-12(20)14-4-8-17-15(10-14)5-9-18(21-17)22-16-6-2-13(11-19)3-7-16/h2-10,12H,20H2,1H3.
What are the key properties of 4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzonitrile?
4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzonitrile has a molecular weight of 289.34 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzonitrile is sourced from PubChem (CID 68759568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).