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

C16H17NO2 — CID 114979776

IUPAC1-(5-methyloxolan-2-yl)-2-quinolin-4-ylethanone
SMILESCC1CCC(C(=O)Cc2ccnc3ccccc23)O1
InChIInChI=1S/C16H17NO2/c1-11-6-7-16(19-11)15(18)10-12-8-9-17-14-5-3-2-4-13(12)14/h2-5,8-9,11,16H,6-7,10H2,1H3
InChIKeyYYOSRDORNAUOGM-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.91
Rot. Bonds3

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

1-(5-methyloxolan-2-yl)-2-quinolin-4-ylethanone (PubChem CID 114979776) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(5-methyloxolan-2-yl)-2-quinolin-4-ylethanone.

Molecular Properties

Compound Name1-(5-methyloxolan-2-yl)-2-quinolin-4-ylethanone
PubChem CID114979776
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-(5-methyloxolan-2-yl)-2-quinolin-4-ylethanone
SMILESCC1CCC(C(=O)Cc2ccnc3ccccc23)O1
InChIInChI=1S/C16H17NO2/c1-11-6-7-16(19-11)15(18)10-12-8-9-17-14-5-3-2-4-13(12)14/h2-5,8-9,11,16H,6-7,10H2,1H3
InChIKeyYYOSRDORNAUOGM-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanone
CID 114979595
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-quinolin-4-ylethanone
CID 79960182
1-quinolin-4-ylbutan-2-one
CID 15695851
1-(1,3-dioxolan-2-yl)-3-quinolin-4-ylpropan-2-one
CID 103543731
2-(3-chloro-2-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone
CID 102865639
1-cyclohexyl-3-quinolin-4-ylpropan-2-one
CID 114979761
1-(cyclopropylamino)-3-quinolin-4-ylpropan-2-one
CID 116555099
2-(quinolin-4-ylmethyl)cyclohexane-1-carboxylic acid
CID 81007961
quinolin-4-ylmethyl hydrogen carbonate
CID 154246402
3-hydroxy-4,4-dimethyl-1-quinolin-4-ylpentan-2-one
CID 103456262
1-(5-methylpyrazin-2-yl)-2-quinolin-4-ylethanone
CID 105109033
2-methyl-6-(quinolin-4-ylmethoxymethyl)morpholine
CID 102634147

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyloxolan-2-yl)-2-quinolin-4-ylethanone?
The IUPAC name of 1-(5-methyloxolan-2-yl)-2-quinolin-4-ylethanone (CID 114979776) is 1-(5-methyloxolan-2-yl)-2-quinolin-4-ylethanone.
What is the SMILES notation for 1-(5-methyloxolan-2-yl)-2-quinolin-4-ylethanone?
The canonical SMILES for 1-(5-methyloxolan-2-yl)-2-quinolin-4-ylethanone is CC1CCC(C(=O)Cc2ccnc3ccccc23)O1.
What is the InChIKey of 1-(5-methyloxolan-2-yl)-2-quinolin-4-ylethanone?
The InChIKey is YYOSRDORNAUOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-6-7-16(19-11)15(18)10-12-8-9-17-14-5-3-2-4-13(12)14/h2-5,8-9,11,16H,6-7,10H2,1H3.
What are the key properties of 1-(5-methyloxolan-2-yl)-2-quinolin-4-ylethanone?
1-(5-methyloxolan-2-yl)-2-quinolin-4-ylethanone has a molecular weight of 255.32 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyloxolan-2-yl)-2-quinolin-4-ylethanone is sourced from PubChem (CID 114979776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).