4-(5-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline

C20H18FN3O — CID 118205453

IUPAC4-(5-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline
SMILESFc1cncc(-c2cc(OCc3ccccn3)nc3c2CCCC3)c1
InChIInChI=1S/C20H18FN3O/c21-15-9-14(11-22-12-15)18-10-20(24-19-7-2-1-6-17(18)19)25-13-16-5-3-4-8-23-16/h3-5,8-12H,1-2,6-7,13H2
InChIKeyVGAJUQZYLAPMGQ-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.14
Rot. Bonds4

About 4-(5-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline

4-(5-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline (PubChem CID 118205453) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 4-(5-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name4-(5-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline
PubChem CID118205453
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name4-(5-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline
SMILESFc1cncc(-c2cc(OCc3ccccn3)nc3c2CCCC3)c1
InChIInChI=1S/C20H18FN3O/c21-15-9-14(11-22-12-15)18-10-20(24-19-7-2-1-6-17(18)19)25-13-16-5-3-4-8-23-16/h3-5,8-12H,1-2,6-7,13H2
InChIKeyVGAJUQZYLAPMGQ-UHFFFAOYSA-N
XLogP4.14
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Quinisocaine
CID 6857
(5s)-3-(5,6-Dihydro-2h-Pyran-3-Yl)-1-Fluoro-7-(2-Fluoropyridin-3-Yl)spiro[chromeno[2,3-C]pyridine-5,4'-[1,3]oxazol]-2'-Amine
CID 53465141
(5s)-7-(2-Fluoropyridin-3-Yl)-3-(2-Fluoropyridin-4-Yl)spiro[chromeno[2,3-C]pyridine-5,4'-[1,3]oxazol]-2'-Amine
CID 58466119
example 385 [US8883782]
CID 67436561
2-Methyl-5-(2-{4-[3-pyridin-4-ylbenzyl]piperidin-1-yl}ethoxy)quinoline
CID 10288132
3-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-quinoline
CID 44372369
(4S)-3'-(3,6-dihydro-2H-pyran-4-yl)-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 45254127
Spiro[5H-[1]benzopyrano[2,3-c]pyridine-5,4'(5'H)-oxazol]-2'-amine, 3-(3,6-dihydro-2H-pyran-4-yl)-1-fluoro-7-(2-fluoro-3-pyridinyl)-, (4'S)-
CID 53464944
(4S)-3'-(3,6-dihydro-2H-pyran-5-yl)-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 53465067
(4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-(2-fluoro-4-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 67387844
(4S)-3'-(6,6-dimethyl-2,3-dihydropyran-4-yl)-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 89997520
US10155760, Example 204
CID 118429935

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 4-(5-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline (CID 118205453) is 4-(5-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 4-(5-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 4-(5-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline is Fc1cncc(-c2cc(OCc3ccccn3)nc3c2CCCC3)c1.
What is the InChIKey of 4-(5-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline?
The InChIKey is VGAJUQZYLAPMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c21-15-9-14(11-22-12-15)18-10-20(24-19-7-2-1-6-17(18)19)25-13-16-5-3-4-8-23-16/h3-5,8-12H,1-2,6-7,13H2.
What are the key properties of 4-(5-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline?
4-(5-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline has a molecular weight of 335.38 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 118205453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).