2-[2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)ethoxy]propanenitrile

C14H19N3O — CID 114266629

IUPAC2-[2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)ethoxy]propanenitrile
SMILESCC(C#N)OCCN1CCCc2c(N)cccc21
InChIInChI=1S/C14H19N3O/c1-11(10-15)18-9-8-17-7-3-4-12-13(16)5-2-6-14(12)17/h2,5-6,11H,3-4,7-9,16H2,1H3
InChIKeyPXDKDBBQZQHYSD-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.95
Rot. Bonds4

About 2-[2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)ethoxy]propanenitrile

2-[2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)ethoxy]propanenitrile (PubChem CID 114266629) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)ethoxy]propanenitrile.

Molecular Properties

Compound Name2-[2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)ethoxy]propanenitrile
PubChem CID114266629
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)ethoxy]propanenitrile
SMILESCC(C#N)OCCN1CCCc2c(N)cccc21
InChIInChI=1S/C14H19N3O/c1-11(10-15)18-9-8-17-7-3-4-12-13(16)5-2-6-14(12)17/h2,5-6,11H,3-4,7-9,16H2,1H3
InChIKeyPXDKDBBQZQHYSD-UHFFFAOYSA-N
XLogP1.95
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)ethoxy]propanenitrile?
The IUPAC name of 2-[2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)ethoxy]propanenitrile (CID 114266629) is 2-[2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)ethoxy]propanenitrile.
What is the SMILES notation for 2-[2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)ethoxy]propanenitrile?
The canonical SMILES for 2-[2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)ethoxy]propanenitrile is CC(C#N)OCCN1CCCc2c(N)cccc21.
What is the InChIKey of 2-[2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)ethoxy]propanenitrile?
The InChIKey is PXDKDBBQZQHYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(10-15)18-9-8-17-7-3-4-12-13(16)5-2-6-14(12)17/h2,5-6,11H,3-4,7-9,16H2,1H3.
What are the key properties of 2-[2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)ethoxy]propanenitrile?
2-[2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)ethoxy]propanenitrile has a molecular weight of 245.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)ethoxy]propanenitrile is sourced from PubChem (CID 114266629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).