3-(oxolan-2-yl)-1-quinolin-5-ylpropan-1-one

C16H17NO2 — CID 115789835

IUPAC3-(oxolan-2-yl)-1-quinolin-5-ylpropan-1-one
SMILESO=C(CCC1CCCO1)c1cccc2ncccc12
InChIInChI=1S/C16H17NO2/c18-16(9-8-12-4-3-11-19-12)14-5-1-7-15-13(14)6-2-10-17-15/h1-2,5-7,10,12H,3-4,8-9,11H2
InChIKeyVPCSRAMYADLRLR-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.38
Rot. Bonds4

About 3-(oxolan-2-yl)-1-quinolin-5-ylpropan-1-one

3-(oxolan-2-yl)-1-quinolin-5-ylpropan-1-one (PubChem CID 115789835) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-1-quinolin-5-ylpropan-1-one.

Molecular Properties

Compound Name3-(oxolan-2-yl)-1-quinolin-5-ylpropan-1-one
PubChem CID115789835
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name3-(oxolan-2-yl)-1-quinolin-5-ylpropan-1-one
SMILESO=C(CCC1CCCO1)c1cccc2ncccc12
InChIInChI=1S/C16H17NO2/c18-16(9-8-12-4-3-11-19-12)14-5-1-7-15-13(14)6-2-10-17-15/h1-2,5-7,10,12H,3-4,8-9,11H2
InChIKeyVPCSRAMYADLRLR-UHFFFAOYSA-N
XLogP3.38
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,2-dihydroacenaphthylen-5-yl)-3-(oxolan-2-yl)propan-1-one
CID 114939092
2-(oxan-4-yl)-1-quinolin-5-ylethanone
CID 105092025
4-(oxolan-2-yl)-1-quinolin-6-ylbutan-1-one
CID 65167269
2-(cyclopentylamino)-1-quinolin-5-ylethanone
CID 116559111
N-(1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)quinoline-5-carboxamide
CID 55487046
3-(oxan-2-yl)-1-quinolin-5-ylpropan-1-ol
CID 115826333
1-(2-tert-butylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 114976956
1-(oxolan-2-yl)-N-(quinolin-5-ylmethyl)methanamine
CID 55061002
1-isoquinolin-4-yl-3-(oxan-2-yl)propan-1-one
CID 114971970
1-quinolin-5-ylhexan-1-one
CID 115789824
3,3,3-trifluoro-1-quinolin-5-ylpropan-1-one
CID 81220780
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 65167153

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-1-quinolin-5-ylpropan-1-one?
The IUPAC name of 3-(oxolan-2-yl)-1-quinolin-5-ylpropan-1-one (CID 115789835) is 3-(oxolan-2-yl)-1-quinolin-5-ylpropan-1-one.
What is the SMILES notation for 3-(oxolan-2-yl)-1-quinolin-5-ylpropan-1-one?
The canonical SMILES for 3-(oxolan-2-yl)-1-quinolin-5-ylpropan-1-one is O=C(CCC1CCCO1)c1cccc2ncccc12.
What is the InChIKey of 3-(oxolan-2-yl)-1-quinolin-5-ylpropan-1-one?
The InChIKey is VPCSRAMYADLRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c18-16(9-8-12-4-3-11-19-12)14-5-1-7-15-13(14)6-2-10-17-15/h1-2,5-7,10,12H,3-4,8-9,11H2.
What are the key properties of 3-(oxolan-2-yl)-1-quinolin-5-ylpropan-1-one?
3-(oxolan-2-yl)-1-quinolin-5-ylpropan-1-one has a molecular weight of 255.32 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-1-quinolin-5-ylpropan-1-one is sourced from PubChem (CID 115789835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).