[8-fluoro-2,3-dimethyl-6-(2-methylbutan-2-yl)quinolin-4-yl] acetate

C18H22FNO2 — CID 141081221

IUPAC[8-fluoro-2,3-dimethyl-6-(2-methylbutan-2-yl)quinolin-4-yl] acetate
SMILESCCC(C)(C)c1cc(F)c2nc(C)c(C)c(OC(C)=O)c2c1
InChIInChI=1S/C18H22FNO2/c1-7-18(5,6)13-8-14-16(15(19)9-13)20-11(3)10(2)17(14)22-12(4)21/h8-9H,7H2,1-6H3
InChIKeyIGYRYOOEZOEIRP-UHFFFAOYSA-N
MW303.38 g/mol
LogP4.60
Rot. Bonds3

About [8-fluoro-2,3-dimethyl-6-(2-methylbutan-2-yl)quinolin-4-yl] acetate

[8-fluoro-2,3-dimethyl-6-(2-methylbutan-2-yl)quinolin-4-yl] acetate (PubChem CID 141081221) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is [8-fluoro-2,3-dimethyl-6-(2-methylbutan-2-yl)quinolin-4-yl] acetate.

Molecular Properties

Compound Name[8-fluoro-2,3-dimethyl-6-(2-methylbutan-2-yl)quinolin-4-yl] acetate
PubChem CID141081221
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Name[8-fluoro-2,3-dimethyl-6-(2-methylbutan-2-yl)quinolin-4-yl] acetate
SMILESCCC(C)(C)c1cc(F)c2nc(C)c(C)c(OC(C)=O)c2c1
InChIInChI=1S/C18H22FNO2/c1-7-18(5,6)13-8-14-16(15(19)9-13)20-11(3)10(2)17(14)22-12(4)21/h8-9H,7H2,1-6H3
InChIKeyIGYRYOOEZOEIRP-UHFFFAOYSA-N
XLogP4.60
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [8-fluoro-2,3-dimethyl-6-(2-methylbutan-2-yl)quinolin-4-yl] acetate?
The IUPAC name of [8-fluoro-2,3-dimethyl-6-(2-methylbutan-2-yl)quinolin-4-yl] acetate (CID 141081221) is [8-fluoro-2,3-dimethyl-6-(2-methylbutan-2-yl)quinolin-4-yl] acetate.
What is the SMILES notation for [8-fluoro-2,3-dimethyl-6-(2-methylbutan-2-yl)quinolin-4-yl] acetate?
The canonical SMILES for [8-fluoro-2,3-dimethyl-6-(2-methylbutan-2-yl)quinolin-4-yl] acetate is CCC(C)(C)c1cc(F)c2nc(C)c(C)c(OC(C)=O)c2c1.
What is the InChIKey of [8-fluoro-2,3-dimethyl-6-(2-methylbutan-2-yl)quinolin-4-yl] acetate?
The InChIKey is IGYRYOOEZOEIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-7-18(5,6)13-8-14-16(15(19)9-13)20-11(3)10(2)17(14)22-12(4)21/h8-9H,7H2,1-6H3.
What are the key properties of [8-fluoro-2,3-dimethyl-6-(2-methylbutan-2-yl)quinolin-4-yl] acetate?
[8-fluoro-2,3-dimethyl-6-(2-methylbutan-2-yl)quinolin-4-yl] acetate has a molecular weight of 303.38 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-fluoro-2,3-dimethyl-6-(2-methylbutan-2-yl)quinolin-4-yl] acetate is sourced from PubChem (CID 141081221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).