1-(5-fluoro-2-pyridinyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol

C17H19FN2O — CID 115940678

IUPAC1-(5-fluoro-2-pyridinyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol
SMILESCCC(O)(c1ccc(F)cn1)C1CCCc2cccnc21
InChIInChI=1S/C17H19FN2O/c1-2-17(21,15-9-8-13(18)11-20-15)14-7-3-5-12-6-4-10-19-16(12)14/h4,6,8-11,14,21H,2-3,5,7H2,1H3
InChIKeyCKTPJXJPNZVTJL-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.33
Rot. Bonds3

About 1-(5-fluoro-2-pyridinyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol

1-(5-fluoro-2-pyridinyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol (PubChem CID 115940678) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol
PubChem CID115940678
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name1-(5-fluoro-2-pyridinyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol
SMILESCCC(O)(c1ccc(F)cn1)C1CCCc2cccnc21
InChIInChI=1S/C17H19FN2O/c1-2-17(21,15-9-8-13(18)11-20-15)14-7-3-5-12-6-4-10-19-16(12)14/h4,6,8-11,14,21H,2-3,5,7H2,1H3
InChIKeyCKTPJXJPNZVTJL-UHFFFAOYSA-N
XLogP3.33
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5,6,7,8-tetrahydroquinolin-8-yl)propan-2-ol
CID 79740095
1-cyclohexyl-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 112585853
1-cyclopropyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propan-1-ol
CID 79746233
1-(cyclopropylamino)-2-(5,6,7,8-tetrahydroquinolin-8-yl)propan-2-ol
CID 79738513
1-(5-fluoro-2-pyridinyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79748410
1-phenyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine
CID 79745553
8-(4-bromo-2-methylpentan-2-yl)-5,6,7,8-tetrahydroquinoline
CID 79738706
(8S)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 164583093
(8R)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 162400504
2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-ylamino)propan-2-ol
CID 79078513
trimethyl(5,6,7,8-tetrahydroquinolin-8-yl)silane
CID 130535889
(8S)-5,6,7,8-tetrahydroquinolin-8-ol
CID 11480532

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol (CID 115940678) is 1-(5-fluoro-2-pyridinyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol is CCC(O)(c1ccc(F)cn1)C1CCCc2cccnc21.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol?
The InChIKey is CKTPJXJPNZVTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-2-17(21,15-9-8-13(18)11-20-15)14-7-3-5-12-6-4-10-19-16(12)14/h4,6,8-11,14,21H,2-3,5,7H2,1H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol?
1-(5-fluoro-2-pyridinyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol has a molecular weight of 286.35 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol is sourced from PubChem (CID 115940678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).