4-(oxolan-2-yl)-1-quinolin-6-ylbutan-1-one

C17H19NO2 — CID 65167269

IUPAC4-(oxolan-2-yl)-1-quinolin-6-ylbutan-1-one
SMILESO=C(CCCC1CCCO1)c1ccc2ncccc2c1
InChIInChI=1S/C17H19NO2/c19-17(7-1-5-15-6-3-11-20-15)14-8-9-16-13(12-14)4-2-10-18-16/h2,4,8-10,12,15H,1,3,5-7,11H2
InChIKeyVRRSOJYNSOPCBH-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.77
Rot. Bonds5

About 4-(oxolan-2-yl)-1-quinolin-6-ylbutan-1-one

4-(oxolan-2-yl)-1-quinolin-6-ylbutan-1-one (PubChem CID 65167269) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-(oxolan-2-yl)-1-quinolin-6-ylbutan-1-one.

Molecular Properties

Compound Name4-(oxolan-2-yl)-1-quinolin-6-ylbutan-1-one
PubChem CID65167269
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name4-(oxolan-2-yl)-1-quinolin-6-ylbutan-1-one
SMILESO=C(CCCC1CCCO1)c1ccc2ncccc2c1
InChIInChI=1S/C17H19NO2/c19-17(7-1-5-15-6-3-11-20-15)14-8-9-16-13(12-14)4-2-10-18-16/h2,4,8-10,12,15H,1,3,5-7,11H2
InChIKeyVRRSOJYNSOPCBH-UHFFFAOYSA-N
XLogP3.77
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(oxolan-2-yl)-1-quinolin-6-ylbutan-1-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

4-(oxolan-2-yl)-1-quinolin-6-ylbutan-1-ol
CID 65161611
5-amino-1-quinolin-6-ylpentan-1-one
CID 116572003
3-(oxan-2-yl)-1-quinolin-3-ylpropan-1-one
CID 114963138
1-(3-chloro-4-methylphenyl)-4-(oxolan-2-yl)butan-1-one
CID 114976767
1-(3-methoxyphenyl)-4-(oxolan-2-yl)butan-1-one
CID 65167309
N-methyl-4-(oxolan-2-yl)-1-quinolin-6-ylbutan-1-amine
CID 65164208
3-(oxolan-2-yl)-1-quinolin-5-ylpropan-1-one
CID 115789835
2-(oxolan-3-yl)-1-quinolin-6-ylethanone
CID 103986220
1-(3,4-dichlorophenyl)-3-(oxolan-2-yl)propan-1-one
CID 65155022
4-(oxolan-2-yl)-1-pyrazin-2-ylbutan-1-one
CID 65167261
1-(oxolan-2-ylmethyl)-3-(2-quinolin-6-yloxyethyl)urea
CID 112975777
1-(2-aminophenyl)-4-(oxolan-2-yl)butan-1-one
CID 65166956

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-yl)-1-quinolin-6-ylbutan-1-one?
The IUPAC name of 4-(oxolan-2-yl)-1-quinolin-6-ylbutan-1-one (CID 65167269) is 4-(oxolan-2-yl)-1-quinolin-6-ylbutan-1-one.
What is the SMILES notation for 4-(oxolan-2-yl)-1-quinolin-6-ylbutan-1-one?
The canonical SMILES for 4-(oxolan-2-yl)-1-quinolin-6-ylbutan-1-one is O=C(CCCC1CCCO1)c1ccc2ncccc2c1.
What is the InChIKey of 4-(oxolan-2-yl)-1-quinolin-6-ylbutan-1-one?
The InChIKey is VRRSOJYNSOPCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-17(7-1-5-15-6-3-11-20-15)14-8-9-16-13(12-14)4-2-10-18-16/h2,4,8-10,12,15H,1,3,5-7,11H2.
What are the key properties of 4-(oxolan-2-yl)-1-quinolin-6-ylbutan-1-one?
4-(oxolan-2-yl)-1-quinolin-6-ylbutan-1-one has a molecular weight of 269.34 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-yl)-1-quinolin-6-ylbutan-1-one is sourced from PubChem (CID 65167269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).