3-(oxan-2-yl)-1-quinolin-3-ylpropan-1-one

C17H19NO2 — CID 114963138

IUPAC3-(oxan-2-yl)-1-quinolin-3-ylpropan-1-one
SMILESO=C(CCC1CCCCO1)c1cnc2ccccc2c1
InChIInChI=1S/C17H19NO2/c19-17(9-8-15-6-3-4-10-20-15)14-11-13-5-1-2-7-16(13)18-12-14/h1-2,5,7,11-12,15H,3-4,6,8-10H2
InChIKeyGWEAOGXDSJWDJW-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.77
Rot. Bonds4

About 3-(oxan-2-yl)-1-quinolin-3-ylpropan-1-one

3-(oxan-2-yl)-1-quinolin-3-ylpropan-1-one (PubChem CID 114963138) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-(oxan-2-yl)-1-quinolin-3-ylpropan-1-one.

Molecular Properties

Compound Name3-(oxan-2-yl)-1-quinolin-3-ylpropan-1-one
PubChem CID114963138
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name3-(oxan-2-yl)-1-quinolin-3-ylpropan-1-one
SMILESO=C(CCC1CCCCO1)c1cnc2ccccc2c1
InChIInChI=1S/C17H19NO2/c19-17(9-8-15-6-3-4-10-20-15)14-11-13-5-1-2-7-16(13)18-12-14/h1-2,5,7,11-12,15H,3-4,6,8-10H2
InChIKeyGWEAOGXDSJWDJW-UHFFFAOYSA-N
XLogP3.77
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

1-(6-methyl-3-pyridinyl)-3-(oxan-2-yl)propan-1-one
CID 114971598
3-piperidin-4-yl-1-quinolin-3-ylpropan-1-one
CID 116563315
1-isoquinolin-4-yl-3-(oxan-2-yl)propan-1-one
CID 114971970
4-(oxolan-2-yl)-1-quinolin-6-ylbutan-1-one
CID 65167269
cyclopentyl(quinolin-3-yl)methanone
CID 54861205
1-(3-aminonaphthalen-2-yl)-3-(oxolan-2-yl)propan-1-one
CID 116560398
3-[2-(oxolan-2-yl)ethylsulfanylmethyl]quinoline
CID 142246183
1-(oxolan-2-ylmethyl)-3-quinolin-3-ylurea
CID 175700632
1-(2,6-difluorophenyl)-3-(oxan-2-yl)propan-1-one
CID 114972950
1-(2,3-dihydro-1H-inden-5-yl)-3-(oxan-2-yl)propan-1-one
CID 63953931
1-(3,4-dichlorophenyl)-3-(oxolan-2-yl)propan-1-one
CID 65155022
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 65167153

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yl)-1-quinolin-3-ylpropan-1-one?
The IUPAC name of 3-(oxan-2-yl)-1-quinolin-3-ylpropan-1-one (CID 114963138) is 3-(oxan-2-yl)-1-quinolin-3-ylpropan-1-one.
What is the SMILES notation for 3-(oxan-2-yl)-1-quinolin-3-ylpropan-1-one?
The canonical SMILES for 3-(oxan-2-yl)-1-quinolin-3-ylpropan-1-one is O=C(CCC1CCCCO1)c1cnc2ccccc2c1.
What is the InChIKey of 3-(oxan-2-yl)-1-quinolin-3-ylpropan-1-one?
The InChIKey is GWEAOGXDSJWDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-17(9-8-15-6-3-4-10-20-15)14-11-13-5-1-2-7-16(13)18-12-14/h1-2,5,7,11-12,15H,3-4,6,8-10H2.
What are the key properties of 3-(oxan-2-yl)-1-quinolin-3-ylpropan-1-one?
3-(oxan-2-yl)-1-quinolin-3-ylpropan-1-one has a molecular weight of 269.34 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yl)-1-quinolin-3-ylpropan-1-one is sourced from PubChem (CID 114963138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).