1-[2-(2-aminoethoxy)ethyl]quinolin-4-one

C13H16N2O2 — CID 103482325

IUPAC1-[2-(2-aminoethoxy)ethyl]quinolin-4-one
SMILESNCCOCCn1ccc(=O)c2ccccc21
InChIInChI=1S/C13H16N2O2/c14-6-9-17-10-8-15-7-5-13(16)11-3-1-2-4-12(11)15/h1-5,7H,6,8-10,14H2
InChIKeyAHYAVFDCYSXTKP-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.98
Rot. Bonds5

About 1-[2-(2-aminoethoxy)ethyl]quinolin-4-one

1-[2-(2-aminoethoxy)ethyl]quinolin-4-one (PubChem CID 103482325) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-[2-(2-aminoethoxy)ethyl]quinolin-4-one.

Molecular Properties

Compound Name1-[2-(2-aminoethoxy)ethyl]quinolin-4-one
PubChem CID103482325
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-[2-(2-aminoethoxy)ethyl]quinolin-4-one
SMILESNCCOCCn1ccc(=O)c2ccccc21
InChIInChI=1S/C13H16N2O2/c14-6-9-17-10-8-15-7-5-13(16)11-3-1-2-4-12(11)15/h1-5,7H,6,8-10,14H2
InChIKeyAHYAVFDCYSXTKP-UHFFFAOYSA-N
XLogP0.98
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethoxy)ethyl]quinolin-4-one?
The IUPAC name of 1-[2-(2-aminoethoxy)ethyl]quinolin-4-one (CID 103482325) is 1-[2-(2-aminoethoxy)ethyl]quinolin-4-one.
What is the SMILES notation for 1-[2-(2-aminoethoxy)ethyl]quinolin-4-one?
The canonical SMILES for 1-[2-(2-aminoethoxy)ethyl]quinolin-4-one is NCCOCCn1ccc(=O)c2ccccc21.
What is the InChIKey of 1-[2-(2-aminoethoxy)ethyl]quinolin-4-one?
The InChIKey is AHYAVFDCYSXTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c14-6-9-17-10-8-15-7-5-13(16)11-3-1-2-4-12(11)15/h1-5,7H,6,8-10,14H2.
What are the key properties of 1-[2-(2-aminoethoxy)ethyl]quinolin-4-one?
1-[2-(2-aminoethoxy)ethyl]quinolin-4-one has a molecular weight of 232.28 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethoxy)ethyl]quinolin-4-one is sourced from PubChem (CID 103482325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).