5-[(3,5-difluorophenoxy)methyl]-6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline

C26H24F3NO2 — CID 58026764

IUPAC5-[(3,5-difluorophenoxy)methyl]-6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline
SMILESCOc1cc(F)ccc1-c1ccc2c(c1COc1cc(F)cc(F)c1)C(C)=CC(C)(C)N2
InChIInChI=1S/C26H24F3NO2/c1-15-13-26(2,3)30-23-8-7-20(21-6-5-16(27)12-24(21)31-4)22(25(15)23)14-32-19-10-17(28)9-18(29)11-19/h5-13,30H,14H2,1-4H3
InChIKeyIFLFLMBAEWTTRF-UHFFFAOYSA-N
MW439.48 g/mol
LogP6.97
Rot. Bonds5

About 5-[(3,5-difluorophenoxy)methyl]-6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline

5-[(3,5-difluorophenoxy)methyl]-6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline (PubChem CID 58026764) has the molecular formula C26H24F3NO2 and a molecular weight of 439.48 g/mol. Its IUPAC name is 5-[(3,5-difluorophenoxy)methyl]-6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline.

Molecular Properties

Compound Name5-[(3,5-difluorophenoxy)methyl]-6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline
PubChem CID58026764
Molecular FormulaC26H24F3NO2
Molecular Weight439.48 g/mol
Exact Mass439.18
IUPAC Name5-[(3,5-difluorophenoxy)methyl]-6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline
SMILESCOc1cc(F)ccc1-c1ccc2c(c1COc1cc(F)cc(F)c1)C(C)=CC(C)(C)N2
InChIInChI=1S/C26H24F3NO2/c1-15-13-26(2,3)30-23-8-7-20(21-6-5-16(27)12-24(21)31-4)22(25(15)23)14-32-19-10-17(28)9-18(29)11-19/h5-13,30H,14H2,1-4H3
InChIKeyIFLFLMBAEWTTRF-UHFFFAOYSA-N
XLogP6.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.48
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(3,5-difluorophenoxy)methyl]-6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline with MolForge

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Launch Full Analysis

Related Compounds

6-(4-fluoro-2-methoxyphenyl)-5-[(4-fluorophenoxy)methyl]-2,2,4-trimethyl-1H-quinoline;6-(4-fluoro-2-methoxyphenyl)-5-[(4-methoxyphenoxy)methyl]-2,2,4-trimethyl-1H-quinoline
CID 160908784
[4-[[6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methoxy]phenyl]methanol
CID 58027045
6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-methylphenoxy)methyl]-1H-quinoline
CID 16660318
5-[(5-fluoro-2-methylphenoxy)methyl]-6-(2-methoxy-4-methylperoxyphenyl)-2,2,4-trimethyl-1H-quinoline
CID 121274737
5-[(3-ethynylphenoxy)methyl]-6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline
CID 58026963
5-[(2,5-dichlorophenoxy)methyl]-6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline
CID 58027042
5-[(5-fluoro-2-methylphenoxy)methyl]-6-(2-methoxy-4-propoxyphenyl)-2,2,4-trimethyl-1H-quinoline
CID 69038538
6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-propylphenoxy)methyl]-1H-quinoline
CID 58026975
5-[(5-fluoro-2-methylphenoxy)methyl]-6-[2-methoxy-4-(2-methylphenyl)peroxyphenyl]-2,2,4-trimethyl-1H-quinoline
CID 89490620
5-[(5-fluoro-2-methylphenoxy)methyl]-6-[2-methoxy-4-(4-methoxyphenyl)sulfanyloxyphenyl]-2,2,4-trimethyl-1H-quinoline
CID 147668564
[4-[5-[(5-fluoro-2-methylphenoxy)methyl]-2,2,4-trimethyl-1H-quinolin-6-yl]-3-methoxyphenyl] trifluoromethanesulfonate
CID 87667592
[4-[5-[(5-fluoro-2-methylphenoxy)methyl]-2,2,4-trimethyl-1H-quinolin-6-yl]-3-methoxyphenyl] 2-aminoacetate
CID 59224340

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-difluorophenoxy)methyl]-6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline?
The IUPAC name of 5-[(3,5-difluorophenoxy)methyl]-6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline (CID 58026764) is 5-[(3,5-difluorophenoxy)methyl]-6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline.
What is the SMILES notation for 5-[(3,5-difluorophenoxy)methyl]-6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline?
The canonical SMILES for 5-[(3,5-difluorophenoxy)methyl]-6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline is COc1cc(F)ccc1-c1ccc2c(c1COc1cc(F)cc(F)c1)C(C)=CC(C)(C)N2.
What is the InChIKey of 5-[(3,5-difluorophenoxy)methyl]-6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline?
The InChIKey is IFLFLMBAEWTTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3NO2/c1-15-13-26(2,3)30-23-8-7-20(21-6-5-16(27)12-24(21)31-4)22(25(15)23)14-32-19-10-17(28)9-18(29)11-19/h5-13,30H,14H2,1-4H3.
What are the key properties of 5-[(3,5-difluorophenoxy)methyl]-6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline?
5-[(3,5-difluorophenoxy)methyl]-6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline has a molecular weight of 439.48 g/mol, XLogP of 6.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-difluorophenoxy)methyl]-6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline is sourced from PubChem (CID 58026764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).