8-fluoro-6-methoxy-4-[2-(oxan-2-yl)ethyl]quinoline

C17H20FNO2 — CID 141137962

IUPAC8-fluoro-6-methoxy-4-[2-(oxan-2-yl)ethyl]quinoline
SMILESCOc1cc(F)c2nccc(CCC3CCCCO3)c2c1
InChIInChI=1S/C17H20FNO2/c1-20-14-10-15-12(5-6-13-4-2-3-9-21-13)7-8-19-17(15)16(18)11-14/h7-8,10-11,13H,2-6,9H2,1H3
InChIKeyHZCOLTVILLWWAA-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.88
Rot. Bonds4

About 8-fluoro-6-methoxy-4-[2-(oxan-2-yl)ethyl]quinoline

8-fluoro-6-methoxy-4-[2-(oxan-2-yl)ethyl]quinoline (PubChem CID 141137962) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 8-fluoro-6-methoxy-4-[2-(oxan-2-yl)ethyl]quinoline.

Molecular Properties

Compound Name8-fluoro-6-methoxy-4-[2-(oxan-2-yl)ethyl]quinoline
PubChem CID141137962
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name8-fluoro-6-methoxy-4-[2-(oxan-2-yl)ethyl]quinoline
SMILESCOc1cc(F)c2nccc(CCC3CCCCO3)c2c1
InChIInChI=1S/C17H20FNO2/c1-20-14-10-15-12(5-6-13-4-2-3-9-21-13)7-8-19-17(15)16(18)11-14/h7-8,10-11,13H,2-6,9H2,1H3
InChIKeyHZCOLTVILLWWAA-UHFFFAOYSA-N
XLogP3.88
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-fluoro-4-methoxyphenyl)-3-(oxan-2-yl)propyl]hydrazine
CID 103397792
1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-one
CID 115785484
1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-one
CID 65154683
N-[(4-fluorophenyl)methyl]-2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-amine
CID 146503197
1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 105013577
1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-ol
CID 115821691
5-methoxy-N-methyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine
CID 134700994
[1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105256870
4,6-difluoro-2-[2-(oxan-2-yl)ethyl]-1H-benzimidazole
CID 81462840
1-(4-methoxy-2-methylphenyl)-3-(oxan-2-yl)propan-1-one
CID 114965567
2-[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine
CID 60904835
2-[2-bromo-2-(2-fluoro-4-methoxyphenyl)ethyl]oxolane
CID 65158223

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-methoxy-4-[2-(oxan-2-yl)ethyl]quinoline?
The IUPAC name of 8-fluoro-6-methoxy-4-[2-(oxan-2-yl)ethyl]quinoline (CID 141137962) is 8-fluoro-6-methoxy-4-[2-(oxan-2-yl)ethyl]quinoline.
What is the SMILES notation for 8-fluoro-6-methoxy-4-[2-(oxan-2-yl)ethyl]quinoline?
The canonical SMILES for 8-fluoro-6-methoxy-4-[2-(oxan-2-yl)ethyl]quinoline is COc1cc(F)c2nccc(CCC3CCCCO3)c2c1.
What is the InChIKey of 8-fluoro-6-methoxy-4-[2-(oxan-2-yl)ethyl]quinoline?
The InChIKey is HZCOLTVILLWWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-20-14-10-15-12(5-6-13-4-2-3-9-21-13)7-8-19-17(15)16(18)11-14/h7-8,10-11,13H,2-6,9H2,1H3.
What are the key properties of 8-fluoro-6-methoxy-4-[2-(oxan-2-yl)ethyl]quinoline?
8-fluoro-6-methoxy-4-[2-(oxan-2-yl)ethyl]quinoline has a molecular weight of 289.35 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-methoxy-4-[2-(oxan-2-yl)ethyl]quinoline is sourced from PubChem (CID 141137962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).