8-[2-(4-fluorophenyl)-3-methylbutyl]quinoline

C20H20FN — CID 143372956

IUPAC8-[2-(4-fluorophenyl)-3-methylbutyl]quinoline
SMILESCC(C)C(Cc1cccc2cccnc12)c1ccc(F)cc1
InChIInChI=1S/C20H20FN/c1-14(2)19(15-8-10-18(21)11-9-15)13-17-6-3-5-16-7-4-12-22-20(16)17/h3-12,14,19H,13H2,1-2H3
InChIKeyKZAQLJAQEIAVFR-UHFFFAOYSA-N
MW293.39 g/mol
LogP5.36
Rot. Bonds4

About 8-[2-(4-fluorophenyl)-3-methylbutyl]quinoline

8-[2-(4-fluorophenyl)-3-methylbutyl]quinoline (PubChem CID 143372956) has the molecular formula C20H20FN and a molecular weight of 293.39 g/mol. Its IUPAC name is 8-[2-(4-fluorophenyl)-3-methylbutyl]quinoline.

Molecular Properties

Compound Name8-[2-(4-fluorophenyl)-3-methylbutyl]quinoline
PubChem CID143372956
Molecular FormulaC20H20FN
Molecular Weight293.39 g/mol
Exact Mass293.16
IUPAC Name8-[2-(4-fluorophenyl)-3-methylbutyl]quinoline
SMILESCC(C)C(Cc1cccc2cccnc12)c1ccc(F)cc1
InChIInChI=1S/C20H20FN/c1-14(2)19(15-8-10-18(21)11-9-15)13-17-6-3-5-16-7-4-12-22-20(16)17/h3-12,14,19H,13H2,1-2H3
InChIKeyKZAQLJAQEIAVFR-UHFFFAOYSA-N
XLogP5.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.39
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-quinolin-8-ylpropan-2-amine
CID 63968867
8-[2-(4-fluorophenyl)ethyl]quinoline
CID 143373037
[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-quinolin-8-ylacetate
CID 55561808
8-(3-bromopentyl)quinoline
CID 81221481
2-(4-fluorophenyl)-1-quinolin-8-ylethanol
CID 63969152
N-methyl-2-phenyl-3-quinolin-8-ylpropan-1-amine
CID 81228441
aluminum quinolin-8-ylmethanol
CID 23124809
3-methyl-2-quinolin-8-ylbutan-1-amine
CID 83886423
(1S)-2-methyl-1-phenyl-N-(quinolin-8-ylmethyl)propan-1-amine
CID 124823553
1-chloro-4-methyl-N-(quinolin-8-ylmethyl)pentan-3-amine
CID 106353850
2-phenyl-N-(quinolin-8-ylmethyl)propan-1-amine
CID 43182084
2-phenyl-3-quinolin-8-ylpropan-1-amine
CID 81223704

Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-fluorophenyl)-3-methylbutyl]quinoline?
The IUPAC name of 8-[2-(4-fluorophenyl)-3-methylbutyl]quinoline (CID 143372956) is 8-[2-(4-fluorophenyl)-3-methylbutyl]quinoline.
What is the SMILES notation for 8-[2-(4-fluorophenyl)-3-methylbutyl]quinoline?
The canonical SMILES for 8-[2-(4-fluorophenyl)-3-methylbutyl]quinoline is CC(C)C(Cc1cccc2cccnc12)c1ccc(F)cc1.
What is the InChIKey of 8-[2-(4-fluorophenyl)-3-methylbutyl]quinoline?
The InChIKey is KZAQLJAQEIAVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN/c1-14(2)19(15-8-10-18(21)11-9-15)13-17-6-3-5-16-7-4-12-22-20(16)17/h3-12,14,19H,13H2,1-2H3.
What are the key properties of 8-[2-(4-fluorophenyl)-3-methylbutyl]quinoline?
8-[2-(4-fluorophenyl)-3-methylbutyl]quinoline has a molecular weight of 293.39 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-fluorophenyl)-3-methylbutyl]quinoline is sourced from PubChem (CID 143372956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).