2-(oxan-4-yl)-1-quinolin-5-ylethanone

C16H17NO2 — CID 105092025

IUPAC2-(oxan-4-yl)-1-quinolin-5-ylethanone
SMILESO=C(CC1CCOCC1)c1cccc2ncccc12
InChIInChI=1S/C16H17NO2/c18-16(11-12-6-9-19-10-7-12)14-3-1-5-15-13(14)4-2-8-17-15/h1-5,8,12H,6-7,9-11H2
InChIKeyXHALOEDGAXPKOY-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.23
Rot. Bonds3

About 2-(oxan-4-yl)-1-quinolin-5-ylethanone

2-(oxan-4-yl)-1-quinolin-5-ylethanone (PubChem CID 105092025) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(oxan-4-yl)-1-quinolin-5-ylethanone.

Molecular Properties

Compound Name2-(oxan-4-yl)-1-quinolin-5-ylethanone
PubChem CID105092025
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-(oxan-4-yl)-1-quinolin-5-ylethanone
SMILESO=C(CC1CCOCC1)c1cccc2ncccc12
InChIInChI=1S/C16H17NO2/c18-16(11-12-6-9-19-10-7-12)14-3-1-5-15-13(14)4-2-8-17-15/h1-5,8,12H,6-7,9-11H2
InChIKeyXHALOEDGAXPKOY-UHFFFAOYSA-N
XLogP3.23
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-3-pyridinyl)-2-(oxan-4-yl)ethanone
CID 105092072
3-(oxolan-2-yl)-1-quinolin-5-ylpropan-1-one
CID 115789835
2-(cyclopentylamino)-1-quinolin-5-ylethanone
CID 116559111
3,3,3-trifluoro-1-quinolin-5-ylpropan-1-one
CID 81220780
1-quinolin-5-ylbut-3-yn-1-one
CID 105076404
2-[4-[2-[(3aS,7aR)-2-(2,2,2-trifluoroethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone
CID 157447250
2-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone
CID 161389833
1-(3-bromo-2-fluorophenyl)-2-(oxan-4-yl)ethanone
CID 107957108
N-(4-ethylcyclohexyl)quinoline-5-carboxamide
CID 145451400
3-methyl-1-quinolin-5-ylbut-3-en-1-one
CID 105112604
2-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone
CID 162073530
1-quinolin-5-ylhexan-1-one
CID 115789824

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-1-quinolin-5-ylethanone?
The IUPAC name of 2-(oxan-4-yl)-1-quinolin-5-ylethanone (CID 105092025) is 2-(oxan-4-yl)-1-quinolin-5-ylethanone.
What is the SMILES notation for 2-(oxan-4-yl)-1-quinolin-5-ylethanone?
The canonical SMILES for 2-(oxan-4-yl)-1-quinolin-5-ylethanone is O=C(CC1CCOCC1)c1cccc2ncccc12.
What is the InChIKey of 2-(oxan-4-yl)-1-quinolin-5-ylethanone?
The InChIKey is XHALOEDGAXPKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c18-16(11-12-6-9-19-10-7-12)14-3-1-5-15-13(14)4-2-8-17-15/h1-5,8,12H,6-7,9-11H2.
What are the key properties of 2-(oxan-4-yl)-1-quinolin-5-ylethanone?
2-(oxan-4-yl)-1-quinolin-5-ylethanone has a molecular weight of 255.32 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-1-quinolin-5-ylethanone is sourced from PubChem (CID 105092025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).