1-[2-[(2S)-oxan-2-yl]oxyethyl]quinolin-4-one

C16H19NO3 — CID 99837452

IUPAC1-[2-[(2S)-oxan-2-yl]oxyethyl]quinolin-4-one
SMILESO=c1ccn(CCO[C@H]2CCCCO2)c2ccccc12
InChIInChI=1S/C16H19NO3/c18-15-8-9-17(14-6-2-1-5-13(14)15)10-12-20-16-7-3-4-11-19-16/h1-2,5-6,8-9,16H,3-4,7,10-12H2/t16-/m0/s1
InChIKeyQZPUBEUNYSOWIQ-INIZCTEOSA-N
MW273.33 g/mol
LogP2.54
Rot. Bonds4

About 1-[2-[(2S)-oxan-2-yl]oxyethyl]quinolin-4-one

1-[2-[(2S)-oxan-2-yl]oxyethyl]quinolin-4-one (PubChem CID 99837452) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-[2-[(2S)-oxan-2-yl]oxyethyl]quinolin-4-one.

Molecular Properties

Compound Name1-[2-[(2S)-oxan-2-yl]oxyethyl]quinolin-4-one
PubChem CID99837452
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1-[2-[(2S)-oxan-2-yl]oxyethyl]quinolin-4-one
SMILESO=c1ccn(CCO[C@H]2CCCCO2)c2ccccc12
InChIInChI=1S/C16H19NO3/c18-15-8-9-17(14-6-2-1-5-13(14)15)10-12-20-16-7-3-4-11-19-16/h1-2,5-6,8-9,16H,3-4,7,10-12H2/t16-/m0/s1
InChIKeyQZPUBEUNYSOWIQ-INIZCTEOSA-N
XLogP2.54
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(oxan-2-yloxy)ethyl]phthalazin-1-one
CID 19979310
5-bromo-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one
CID 172614475
ethane;3-nitro-9-[2-(oxan-2-yloxy)ethyl]carbazole
CID 145023696
2-[2-(oxan-2-yloxy)ethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one
CID 119037797
1-[2-(oxan-2-yloxy)ethyl]-3H-indol-2-one
CID 77211492
1-[2-(oxan-2-yloxy)ethyl]-6-[2-[2-(trifluoromethyl)phenyl]ethyl]indole
CID 175599034
1-(2-piperidin-1-ylethyl)quinolin-4-one
CID 141163131
2-nitro-1-[2-(oxan-2-yloxy)ethyl]imidazole
CID 90063267
2-nitro-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole
CID 129411763
2-(2-phenoxyethoxy)oxane
CID 11736193
5-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazole
CID 86687194
1,3-dimethyl-7-[2-(oxan-2-yloxy)ethyl]purine-2,6-dione
CID 129249496

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-oxan-2-yl]oxyethyl]quinolin-4-one?
The IUPAC name of 1-[2-[(2S)-oxan-2-yl]oxyethyl]quinolin-4-one (CID 99837452) is 1-[2-[(2S)-oxan-2-yl]oxyethyl]quinolin-4-one.
What is the SMILES notation for 1-[2-[(2S)-oxan-2-yl]oxyethyl]quinolin-4-one?
The canonical SMILES for 1-[2-[(2S)-oxan-2-yl]oxyethyl]quinolin-4-one is O=c1ccn(CCO[C@H]2CCCCO2)c2ccccc12.
What is the InChIKey of 1-[2-[(2S)-oxan-2-yl]oxyethyl]quinolin-4-one?
The InChIKey is QZPUBEUNYSOWIQ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19NO3/c18-15-8-9-17(14-6-2-1-5-13(14)15)10-12-20-16-7-3-4-11-19-16/h1-2,5-6,8-9,16H,3-4,7,10-12H2/t16-/m0/s1.
What are the key properties of 1-[2-[(2S)-oxan-2-yl]oxyethyl]quinolin-4-one?
1-[2-[(2S)-oxan-2-yl]oxyethyl]quinolin-4-one has a molecular weight of 273.33 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-oxan-2-yl]oxyethyl]quinolin-4-one is sourced from PubChem (CID 99837452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).