4-(4-ethylcyclohexyl)-8-fluoroquinoline

C17H20FN — CID 155416400

IUPAC4-(4-ethylcyclohexyl)-8-fluoroquinoline
SMILESCCC1CCC(c2ccnc3c(F)cccc23)CC1
InChIInChI=1S/C17H20FN/c1-2-12-6-8-13(9-7-12)14-10-11-19-17-15(14)4-3-5-16(17)18/h3-5,10-13H,2,6-9H2,1H3
InChIKeyJAKOMFXLAKGVDZ-UHFFFAOYSA-N
MW257.35 g/mol
LogP5.06
Rot. Bonds2

About 4-(4-ethylcyclohexyl)-8-fluoroquinoline

4-(4-ethylcyclohexyl)-8-fluoroquinoline (PubChem CID 155416400) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 4-(4-ethylcyclohexyl)-8-fluoroquinoline.

Molecular Properties

Compound Name4-(4-ethylcyclohexyl)-8-fluoroquinoline
PubChem CID155416400
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name4-(4-ethylcyclohexyl)-8-fluoroquinoline
SMILESCCC1CCC(c2ccnc3c(F)cccc23)CC1
InChIInChI=1S/C17H20FN/c1-2-12-6-8-13(9-7-12)14-10-11-19-17-15(14)4-3-5-16(17)18/h3-5,10-13H,2,6-9H2,1H3
InChIKeyJAKOMFXLAKGVDZ-UHFFFAOYSA-N
XLogP5.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.35
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-cyclohexyl-8-fluoroquinoline
CID 175210873
N-[1-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propyl]-2-methylpyrimidine-5-carboxamide
CID 146470851
N-(4-chlorophenyl)-2-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 129088634
ethane;3-(4-ethylcyclohexyl)-2-fluoro-4-methoxypyridine
CID 177327862
1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene
CID 118593478
1-(4-ethylcyclohexyl)-4-fluorobenzimidazol-2-amine
CID 61470261
ethane;[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanamine
CID 142561485
1-ethoxy-4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2,3-difluorobenzene
CID 134358646
1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)benzene
CID 139911152
(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]butan-2-amine
CID 168891034
N-[(4-ethylcyclohexyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83065498
2-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine
CID 65391328

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylcyclohexyl)-8-fluoroquinoline?
The IUPAC name of 4-(4-ethylcyclohexyl)-8-fluoroquinoline (CID 155416400) is 4-(4-ethylcyclohexyl)-8-fluoroquinoline.
What is the SMILES notation for 4-(4-ethylcyclohexyl)-8-fluoroquinoline?
The canonical SMILES for 4-(4-ethylcyclohexyl)-8-fluoroquinoline is CCC1CCC(c2ccnc3c(F)cccc23)CC1.
What is the InChIKey of 4-(4-ethylcyclohexyl)-8-fluoroquinoline?
The InChIKey is JAKOMFXLAKGVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-2-12-6-8-13(9-7-12)14-10-11-19-17-15(14)4-3-5-16(17)18/h3-5,10-13H,2,6-9H2,1H3.
What are the key properties of 4-(4-ethylcyclohexyl)-8-fluoroquinoline?
4-(4-ethylcyclohexyl)-8-fluoroquinoline has a molecular weight of 257.35 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylcyclohexyl)-8-fluoroquinoline is sourced from PubChem (CID 155416400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).