6-[1-(3-fluoro-4-methoxyphenyl)ethyl]quinoline

C18H16FNO — CID 172878085

IUPAC6-[1-(3-fluoro-4-methoxyphenyl)ethyl]quinoline
SMILESCOc1ccc(C(C)c2ccc3ncccc3c2)cc1F
InChIInChI=1S/C18H16FNO/c1-12(14-6-8-18(21-2)16(19)11-14)13-5-7-17-15(10-13)4-3-9-20-17/h3-12H,1-2H3
InChIKeyHKTOTXBETIHOPL-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.53
Rot. Bonds3

About 6-[1-(3-fluoro-4-methoxyphenyl)ethyl]quinoline

6-[1-(3-fluoro-4-methoxyphenyl)ethyl]quinoline (PubChem CID 172878085) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is 6-[1-(3-fluoro-4-methoxyphenyl)ethyl]quinoline.

Molecular Properties

Compound Name6-[1-(3-fluoro-4-methoxyphenyl)ethyl]quinoline
PubChem CID172878085
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name6-[1-(3-fluoro-4-methoxyphenyl)ethyl]quinoline
SMILESCOc1ccc(C(C)c2ccc3ncccc3c2)cc1F
InChIInChI=1S/C18H16FNO/c1-12(14-6-8-18(21-2)16(19)11-14)13-5-7-17-15(10-13)4-3-9-20-17/h3-12H,1-2H3
InChIKeyHKTOTXBETIHOPL-UHFFFAOYSA-N
XLogP4.53
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]quinoline
CID 58329222
(3-fluoro-4-methoxyphenyl)-quinolin-6-ylmethanone
CID 62850433
(4-methoxy-3-methylphenyl)-quinolin-6-ylmethanol
CID 78917721
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
(3-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanol
CID 62795072
3-fluoro-4-methoxy-N-quinolin-6-ylbenzamide
CID 78878548
methyl 3-hydroxy-2-methyl-3-quinolin-6-ylpropanoate
CID 63971839
(3-methoxythiophen-2-yl)-quinolin-6-ylmethanamine
CID 105020989
6-propan-2-ylquinoline;sulfur dioxide
CID 162251791
(S)-(3-fluoro-4-methoxyphenyl)-pyridin-2-ylmethanol
CID 94605505
N-[1-(3,4-difluorophenyl)ethyl]quinolin-6-amine
CID 62634409
4-butan-2-yl-2-fluoro-1-methoxybenzene
CID 126760207

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3-fluoro-4-methoxyphenyl)ethyl]quinoline?
The IUPAC name of 6-[1-(3-fluoro-4-methoxyphenyl)ethyl]quinoline (CID 172878085) is 6-[1-(3-fluoro-4-methoxyphenyl)ethyl]quinoline.
What is the SMILES notation for 6-[1-(3-fluoro-4-methoxyphenyl)ethyl]quinoline?
The canonical SMILES for 6-[1-(3-fluoro-4-methoxyphenyl)ethyl]quinoline is COc1ccc(C(C)c2ccc3ncccc3c2)cc1F.
What is the InChIKey of 6-[1-(3-fluoro-4-methoxyphenyl)ethyl]quinoline?
The InChIKey is HKTOTXBETIHOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO/c1-12(14-6-8-18(21-2)16(19)11-14)13-5-7-17-15(10-13)4-3-9-20-17/h3-12H,1-2H3.
What are the key properties of 6-[1-(3-fluoro-4-methoxyphenyl)ethyl]quinoline?
6-[1-(3-fluoro-4-methoxyphenyl)ethyl]quinoline has a molecular weight of 281.33 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3-fluoro-4-methoxyphenyl)ethyl]quinoline is sourced from PubChem (CID 172878085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).