1-(6-ethylquinolin-8-yl)oxybut-3-yn-2-one

C15H13NO2 — CID 156718074

IUPAC1-(6-ethylquinolin-8-yl)oxybut-3-yn-2-one
SMILESC#CC(=O)COc1cc(CC)cc2cccnc12
InChIInChI=1S/C15H13NO2/c1-3-11-8-12-6-5-7-16-15(12)14(9-11)18-10-13(17)4-2/h2,5-9H,3,10H2,1H3
InChIKeyWAYKORJCFJSOKV-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.38
Rot. Bonds4

About 1-(6-ethylquinolin-8-yl)oxybut-3-yn-2-one

1-(6-ethylquinolin-8-yl)oxybut-3-yn-2-one (PubChem CID 156718074) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-(6-ethylquinolin-8-yl)oxybut-3-yn-2-one.

Molecular Properties

Compound Name1-(6-ethylquinolin-8-yl)oxybut-3-yn-2-one
PubChem CID156718074
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name1-(6-ethylquinolin-8-yl)oxybut-3-yn-2-one
SMILESC#CC(=O)COc1cc(CC)cc2cccnc12
InChIInChI=1S/C15H13NO2/c1-3-11-8-12-6-5-7-16-15(12)14(9-11)18-10-13(17)4-2/h2,5-9H,3,10H2,1H3
InChIKeyWAYKORJCFJSOKV-UHFFFAOYSA-N
XLogP2.38
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-(6-ethylquinolin-8-yl)oxybut-3-yn-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethyl-8-methoxyquinoline
CID 137438692
8-bromo-6-ethylquinoline
CID 19381206
N-(2-ethylphenyl)-2-quinolin-8-yloxyacetamide
CID 40655687
2-quinolin-8-yloxyacetate
CID 6950984
6-ethyl-N-(2-hydroxyethyl)-N-phenylquinoline-8-carboxamide
CID 175792354
N-(azetidin-3-ylmethyl)-6-ethylquinoline-8-carboxamide
CID 175792257
2-ethoxyethyl 2-quinolin-8-yloxyacetate
CID 71408852
6-ethyl-N-(pyrazin-2-ylmethyl)quinoline-8-carboxamide
CID 175792326
ethyl 6-hydroxyquinoline-8-carboxylate
CID 134613311
2-methoxyethyl 2-quinolin-8-yloxyacetate
CID 71408859
N-tert-butyl-2-quinolin-8-yloxyacetamide
CID 7893996
N',N'-dimethyl-2-quinolin-8-yloxyacetohydrazide
CID 116820845

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethylquinolin-8-yl)oxybut-3-yn-2-one?
The IUPAC name of 1-(6-ethylquinolin-8-yl)oxybut-3-yn-2-one (CID 156718074) is 1-(6-ethylquinolin-8-yl)oxybut-3-yn-2-one.
What is the SMILES notation for 1-(6-ethylquinolin-8-yl)oxybut-3-yn-2-one?
The canonical SMILES for 1-(6-ethylquinolin-8-yl)oxybut-3-yn-2-one is C#CC(=O)COc1cc(CC)cc2cccnc12.
What is the InChIKey of 1-(6-ethylquinolin-8-yl)oxybut-3-yn-2-one?
The InChIKey is WAYKORJCFJSOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-3-11-8-12-6-5-7-16-15(12)14(9-11)18-10-13(17)4-2/h2,5-9H,3,10H2,1H3.
What are the key properties of 1-(6-ethylquinolin-8-yl)oxybut-3-yn-2-one?
1-(6-ethylquinolin-8-yl)oxybut-3-yn-2-one has a molecular weight of 239.27 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethylquinolin-8-yl)oxybut-3-yn-2-one is sourced from PubChem (CID 156718074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).