1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanone

C16H17NO2 — CID 114979595

IUPAC1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanone
SMILESCC1CCOC1C(=O)Cc1ccnc2ccccc12
InChIInChI=1S/C16H17NO2/c1-11-7-9-19-16(11)15(18)10-12-6-8-17-14-5-3-2-4-13(12)14/h2-6,8,11,16H,7,9-10H2,1H3
InChIKeyRAZVGIOKTBWIPG-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.77
Rot. Bonds3

About 1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanone

1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanone (PubChem CID 114979595) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanone.

Molecular Properties

Compound Name1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanone
PubChem CID114979595
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanone
SMILESCC1CCOC1C(=O)Cc1ccnc2ccccc12
InChIInChI=1S/C16H17NO2/c1-11-7-9-19-16(11)15(18)10-12-6-8-17-14-5-3-2-4-13(12)14/h2-6,8,11,16H,7,9-10H2,1H3
InChIKeyRAZVGIOKTBWIPG-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methyloxolan-2-yl)-2-quinolin-4-ylethanone
CID 114979776
1-(1,3-dioxolan-2-yl)-3-quinolin-4-ylpropan-2-one
CID 103543731
1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanol
CID 115812514
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-cyclohexyl-3-quinolin-4-ylpropan-2-one
CID 114979761
1-(cyclopropylamino)-3-quinolin-4-ylpropan-2-one
CID 116555099
(2S,3S)-2-methyl-N-quinolin-4-yloxolane-3-carboxamide
CID 166298277
1-(1,3-dioxolan-2-yl)-3-quinolin-4-ylpropan-2-ol
CID 103547520
isoquinolin-4-yl-(3-methyloxolan-2-yl)methanone
CID 114971893
2-(quinolin-4-ylmethyl)cyclohexane-1-carboxylic acid
CID 81007961
4-[3-(oxiran-2-yl)propoxymethyl]quinoline
CID 91038526

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanone?
The IUPAC name of 1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanone (CID 114979595) is 1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanone.
What is the SMILES notation for 1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanone?
The canonical SMILES for 1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanone is CC1CCOC1C(=O)Cc1ccnc2ccccc12.
What is the InChIKey of 1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanone?
The InChIKey is RAZVGIOKTBWIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-7-9-19-16(11)15(18)10-12-6-8-17-14-5-3-2-4-13(12)14/h2-6,8,11,16H,7,9-10H2,1H3.
What are the key properties of 1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanone?
1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanone has a molecular weight of 255.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanone is sourced from PubChem (CID 114979595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).