6-fluoro-2-[[3-(1-phenylcyclopentyl)phenoxy]methyl]quinoline

C27H24FNO — CID 141150955

IUPAC6-fluoro-2-[[3-(1-phenylcyclopentyl)phenoxy]methyl]quinoline
SMILESFc1ccc2nc(COc3cccc(C4(c5ccccc5)CCCC4)c3)ccc2c1
InChIInChI=1S/C27H24FNO/c28-23-12-14-26-20(17-23)11-13-24(29-26)19-30-25-10-6-9-22(18-25)27(15-4-5-16-27)21-7-2-1-3-8-21/h1-3,6-14,17-18H,4-5,15-16,19H2
InChIKeyWMYHFLUCZPUUIT-UHFFFAOYSA-N
MW397.49 g/mol
LogP6.81
Rot. Bonds5

About 6-fluoro-2-[[3-(1-phenylcyclopentyl)phenoxy]methyl]quinoline

6-fluoro-2-[[3-(1-phenylcyclopentyl)phenoxy]methyl]quinoline (PubChem CID 141150955) has the molecular formula C27H24FNO and a molecular weight of 397.49 g/mol. Its IUPAC name is 6-fluoro-2-[[3-(1-phenylcyclopentyl)phenoxy]methyl]quinoline.

Molecular Properties

Compound Name6-fluoro-2-[[3-(1-phenylcyclopentyl)phenoxy]methyl]quinoline
PubChem CID141150955
Molecular FormulaC27H24FNO
Molecular Weight397.49 g/mol
Exact Mass397.18
IUPAC Name6-fluoro-2-[[3-(1-phenylcyclopentyl)phenoxy]methyl]quinoline
SMILESFc1ccc2nc(COc3cccc(C4(c5ccccc5)CCCC4)c3)ccc2c1
InChIInChI=1S/C27H24FNO/c28-23-12-14-26-20(17-23)11-13-24(29-26)19-30-25-10-6-9-22(18-25)27(15-4-5-16-27)21-7-2-1-3-8-21/h1-3,6-14,17-18H,4-5,15-16,19H2
InChIKeyWMYHFLUCZPUUIT-UHFFFAOYSA-N
XLogP6.81
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.49
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-2-[[3-(1-phenylcyclopentyl)-4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenoxy]methyl]quinoline
CID 11848389
4-[(6-fluoroquinolin-2-yl)methoxy]-N'-hydroxy-2-(3-methyl-1-phenylcyclobutyl)benzenecarboximidamide
CID 87650536
cyclohexyl-[4-[(6-fluoroquinolin-2-yl)methoxy]phenyl]methanol
CID 11793224
[3-(quinolin-2-ylmethoxy)phenyl]boronic acid
CID 43327889
4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexan-1-ol
CID 10698227
ethane;methane;2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)phenol
CID 143292387
CID 67726997
CID 67726997
2-[[3-(bromomethyl)phenoxy]methyl]quinoline
CID 43324683
2-(3,3-dimethyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzohydrazide
CID 68896899
2-[1-[4-(quinolin-2-ylmethoxy)phenyl]cycloheptyl]acetic acid
CID 57179781
2-[[3-(1,3-dithian-2-yl)phenoxy]methyl]quinoline
CID 14774169
4-fluoro-2-[4-(quinolin-2-ylmethoxy)phenyl]phenol
CID 67026414

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[[3-(1-phenylcyclopentyl)phenoxy]methyl]quinoline?
The IUPAC name of 6-fluoro-2-[[3-(1-phenylcyclopentyl)phenoxy]methyl]quinoline (CID 141150955) is 6-fluoro-2-[[3-(1-phenylcyclopentyl)phenoxy]methyl]quinoline.
What is the SMILES notation for 6-fluoro-2-[[3-(1-phenylcyclopentyl)phenoxy]methyl]quinoline?
The canonical SMILES for 6-fluoro-2-[[3-(1-phenylcyclopentyl)phenoxy]methyl]quinoline is Fc1ccc2nc(COc3cccc(C4(c5ccccc5)CCCC4)c3)ccc2c1.
What is the InChIKey of 6-fluoro-2-[[3-(1-phenylcyclopentyl)phenoxy]methyl]quinoline?
The InChIKey is WMYHFLUCZPUUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FNO/c28-23-12-14-26-20(17-23)11-13-24(29-26)19-30-25-10-6-9-22(18-25)27(15-4-5-16-27)21-7-2-1-3-8-21/h1-3,6-14,17-18H,4-5,15-16,19H2.
What are the key properties of 6-fluoro-2-[[3-(1-phenylcyclopentyl)phenoxy]methyl]quinoline?
6-fluoro-2-[[3-(1-phenylcyclopentyl)phenoxy]methyl]quinoline has a molecular weight of 397.49 g/mol, XLogP of 6.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[[3-(1-phenylcyclopentyl)phenoxy]methyl]quinoline is sourced from PubChem (CID 141150955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).