2-ethoxy-1-quinolin-5-ylbutan-1-one

C15H17NO2 — CID 116707471

IUPAC2-ethoxy-1-quinolin-5-ylbutan-1-one
SMILESCCOC(CC)C(=O)c1cccc2ncccc12
InChIInChI=1S/C15H17NO2/c1-3-14(18-4-2)15(17)12-7-5-9-13-11(12)8-6-10-16-13/h5-10,14H,3-4H2,1-2H3
InChIKeyMEWXVULIVXGVRO-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.23
Rot. Bonds5

About 2-ethoxy-1-quinolin-5-ylbutan-1-one

2-ethoxy-1-quinolin-5-ylbutan-1-one (PubChem CID 116707471) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-ethoxy-1-quinolin-5-ylbutan-1-one.

Molecular Properties

Compound Name2-ethoxy-1-quinolin-5-ylbutan-1-one
PubChem CID116707471
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-ethoxy-1-quinolin-5-ylbutan-1-one
SMILESCCOC(CC)C(=O)c1cccc2ncccc12
InChIInChI=1S/C15H17NO2/c1-3-14(18-4-2)15(17)12-7-5-9-13-11(12)8-6-10-16-13/h5-10,14H,3-4H2,1-2H3
InChIKeyMEWXVULIVXGVRO-UHFFFAOYSA-N
XLogP3.23
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
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-ethoxy-1-quinolin-5-ylbutan-1-one?
The IUPAC name of 2-ethoxy-1-quinolin-5-ylbutan-1-one (CID 116707471) is 2-ethoxy-1-quinolin-5-ylbutan-1-one.
What is the SMILES notation for 2-ethoxy-1-quinolin-5-ylbutan-1-one?
The canonical SMILES for 2-ethoxy-1-quinolin-5-ylbutan-1-one is CCOC(CC)C(=O)c1cccc2ncccc12.
What is the InChIKey of 2-ethoxy-1-quinolin-5-ylbutan-1-one?
The InChIKey is MEWXVULIVXGVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-3-14(18-4-2)15(17)12-7-5-9-13-11(12)8-6-10-16-13/h5-10,14H,3-4H2,1-2H3.
What are the key properties of 2-ethoxy-1-quinolin-5-ylbutan-1-one?
2-ethoxy-1-quinolin-5-ylbutan-1-one has a molecular weight of 243.31 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-quinolin-5-ylbutan-1-one is sourced from PubChem (CID 116707471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).