5-(3-fluoro-8-azabicyclo[3.2.1]octan-3-yl)quinoline

C16H17FN2 — CID 112564674

IUPAC5-(3-fluoro-8-azabicyclo[3.2.1]octan-3-yl)quinoline
SMILESFC1(c2cccc3ncccc23)CC2CCC(C1)N2
InChIInChI=1S/C16H17FN2/c17-16(9-11-6-7-12(10-16)19-11)14-4-1-5-15-13(14)3-2-8-18-15/h1-5,8,11-12,19H,6-7,9-10H2
InChIKeyPSKOGGCWKBWSCD-UHFFFAOYSA-N
MW256.32 g/mol
LogP3.31
Rot. Bonds1

About 5-(3-fluoro-8-azabicyclo[3.2.1]octan-3-yl)quinoline

5-(3-fluoro-8-azabicyclo[3.2.1]octan-3-yl)quinoline (PubChem CID 112564674) has the molecular formula C16H17FN2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 5-(3-fluoro-8-azabicyclo[3.2.1]octan-3-yl)quinoline.

Molecular Properties

Compound Name5-(3-fluoro-8-azabicyclo[3.2.1]octan-3-yl)quinoline
PubChem CID112564674
Molecular FormulaC16H17FN2
Molecular Weight256.32 g/mol
Exact Mass256.14
IUPAC Name5-(3-fluoro-8-azabicyclo[3.2.1]octan-3-yl)quinoline
SMILESFC1(c2cccc3ncccc23)CC2CCC(C1)N2
InChIInChI=1S/C16H17FN2/c17-16(9-11-6-7-12(10-16)19-11)14-4-1-5-15-13(14)3-2-8-18-15/h1-5,8,11-12,19H,6-7,9-10H2
InChIKeyPSKOGGCWKBWSCD-UHFFFAOYSA-N
XLogP3.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine
CID 81216239
5-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]quinoline
CID 129390404
8-methyl-3-quinolin-5-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 171955990
2,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine
CID 81216527
3-ethyl-1-quinolin-5-ylcyclopentan-1-ol
CID 81216281
5-(2-methylpyrrolidin-2-yl)quinoline
CID 81231992
1-quinolin-5-yl-2,3-dihydroinden-1-ol
CID 81196770
3-fluoro-3-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 112564682
2-quinolin-5-yl-3,4-dihydro-1H-naphthalen-2-ol
CID 81196643
5-[(2R)-pyrrolidin-2-yl]quinoline
CID 66518640
5-(3,5-dimethylpiperazin-1-yl)quinoline
CID 81217174
5-fluoro-1-quinolin-5-yl-2,3-dihydroinden-1-amine
CID 116531900

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-8-azabicyclo[3.2.1]octan-3-yl)quinoline?
The IUPAC name of 5-(3-fluoro-8-azabicyclo[3.2.1]octan-3-yl)quinoline (CID 112564674) is 5-(3-fluoro-8-azabicyclo[3.2.1]octan-3-yl)quinoline.
What is the SMILES notation for 5-(3-fluoro-8-azabicyclo[3.2.1]octan-3-yl)quinoline?
The canonical SMILES for 5-(3-fluoro-8-azabicyclo[3.2.1]octan-3-yl)quinoline is FC1(c2cccc3ncccc23)CC2CCC(C1)N2.
What is the InChIKey of 5-(3-fluoro-8-azabicyclo[3.2.1]octan-3-yl)quinoline?
The InChIKey is PSKOGGCWKBWSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2/c17-16(9-11-6-7-12(10-16)19-11)14-4-1-5-15-13(14)3-2-8-18-15/h1-5,8,11-12,19H,6-7,9-10H2.
What are the key properties of 5-(3-fluoro-8-azabicyclo[3.2.1]octan-3-yl)quinoline?
5-(3-fluoro-8-azabicyclo[3.2.1]octan-3-yl)quinoline has a molecular weight of 256.32 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-8-azabicyclo[3.2.1]octan-3-yl)quinoline is sourced from PubChem (CID 112564674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).