3-(oxan-2-yl)-1-quinolin-8-ylpropan-1-ol

C17H21NO2 — CID 115826914

IUPAC3-(oxan-2-yl)-1-quinolin-8-ylpropan-1-ol
SMILESOC(CCC1CCCCO1)c1cccc2cccnc12
InChIInChI=1S/C17H21NO2/c19-16(10-9-14-7-1-2-12-20-14)15-8-3-5-13-6-4-11-18-17(13)15/h3-6,8,11,14,16,19H,1-2,7,9-10,12H2
InChIKeyKTEPDJUJJTZQQU-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.62
Rot. Bonds4

About 3-(oxan-2-yl)-1-quinolin-8-ylpropan-1-ol

3-(oxan-2-yl)-1-quinolin-8-ylpropan-1-ol (PubChem CID 115826914) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(oxan-2-yl)-1-quinolin-8-ylpropan-1-ol.

Molecular Properties

Compound Name3-(oxan-2-yl)-1-quinolin-8-ylpropan-1-ol
PubChem CID115826914
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-(oxan-2-yl)-1-quinolin-8-ylpropan-1-ol
SMILESOC(CCC1CCCCO1)c1cccc2cccnc12
InChIInChI=1S/C17H21NO2/c19-16(10-9-14-7-1-2-12-20-14)15-8-3-5-13-6-4-11-18-17(13)15/h3-6,8,11,14,16,19H,1-2,7,9-10,12H2
InChIKeyKTEPDJUJJTZQQU-UHFFFAOYSA-N
XLogP3.62
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(oxan-2-yl)-1-quinolin-5-ylpropan-1-ol
CID 115826333
2-cyclopentyl-1-quinolin-8-ylethanol
CID 65149248
3-(oxolan-2-yl)-1-pyridin-2-ylpropan-1-ol
CID 65161757
1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-ol
CID 115833989
1-(2-bromo-3-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 107985732
4-(oxan-2-yl)-1-pyridin-2-ylbutan-2-ol
CID 66459685
8-(oxolan-2-ylmethylsulfanyl)quinoline
CID 5128598
3-(oxan-2-yl)-1-pyrazin-2-ylpropan-1-ol
CID 115800210
3-(oxan-2-yl)-1-(2,3,4-trifluorophenyl)propan-1-ol
CID 115797020
1-(2,3-difluoro-4-methylphenyl)-3-(oxan-2-yl)propan-1-ol
CID 107516246
5-methyl-1-quinolin-8-ylhexan-1-ol
CID 83158737
1-cyclohexyl-2-quinolin-8-ylethane-1,2-diol
CID 103459066

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yl)-1-quinolin-8-ylpropan-1-ol?
The IUPAC name of 3-(oxan-2-yl)-1-quinolin-8-ylpropan-1-ol (CID 115826914) is 3-(oxan-2-yl)-1-quinolin-8-ylpropan-1-ol.
What is the SMILES notation for 3-(oxan-2-yl)-1-quinolin-8-ylpropan-1-ol?
The canonical SMILES for 3-(oxan-2-yl)-1-quinolin-8-ylpropan-1-ol is OC(CCC1CCCCO1)c1cccc2cccnc12.
What is the InChIKey of 3-(oxan-2-yl)-1-quinolin-8-ylpropan-1-ol?
The InChIKey is KTEPDJUJJTZQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-16(10-9-14-7-1-2-12-20-14)15-8-3-5-13-6-4-11-18-17(13)15/h3-6,8,11,14,16,19H,1-2,7,9-10,12H2.
What are the key properties of 3-(oxan-2-yl)-1-quinolin-8-ylpropan-1-ol?
3-(oxan-2-yl)-1-quinolin-8-ylpropan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yl)-1-quinolin-8-ylpropan-1-ol is sourced from PubChem (CID 115826914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).