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

C27H28FNO2 — CID 16660318

IUPAC6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-methylphenoxy)methyl]-1H-quinoline
SMILESCOc1cc(F)ccc1-c1ccc2c(c1COc1ccccc1C)C(C)=CC(C)(C)N2
InChIInChI=1S/C27H28FNO2/c1-17-8-6-7-9-24(17)31-16-22-20(21-11-10-19(28)14-25(21)30-5)12-13-23-26(22)18(2)15-27(3,4)29-23/h6-15,29H,16H2,1-5H3
InChIKeyPYCGTYGDBJHXSD-UHFFFAOYSA-N
MW417.52 g/mol
LogP7.00
Rot. Bonds5

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

6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-methylphenoxy)methyl]-1H-quinoline (PubChem CID 16660318) has the molecular formula C27H28FNO2 and a molecular weight of 417.52 g/mol. Its IUPAC name is 6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-methylphenoxy)methyl]-1H-quinoline.

Molecular Properties

Compound Name6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-methylphenoxy)methyl]-1H-quinoline
PubChem CID16660318
Molecular FormulaC27H28FNO2
Molecular Weight417.52 g/mol
Exact Mass417.21
IUPAC Name6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-methylphenoxy)methyl]-1H-quinoline
SMILESCOc1cc(F)ccc1-c1ccc2c(c1COc1ccccc1C)C(C)=CC(C)(C)N2
InChIInChI=1S/C27H28FNO2/c1-17-8-6-7-9-24(17)31-16-22-20(21-11-10-19(28)14-25(21)30-5)12-13-23-26(22)18(2)15-27(3,4)29-23/h6-15,29H,16H2,1-5H3
InChIKeyPYCGTYGDBJHXSD-UHFFFAOYSA-N
XLogP7.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.52
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-methylphenoxy)methyl]-1H-quinoline?
The IUPAC name of 6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-methylphenoxy)methyl]-1H-quinoline (CID 16660318) is 6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-methylphenoxy)methyl]-1H-quinoline.
What is the SMILES notation for 6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-methylphenoxy)methyl]-1H-quinoline?
The canonical SMILES for 6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-methylphenoxy)methyl]-1H-quinoline is COc1cc(F)ccc1-c1ccc2c(c1COc1ccccc1C)C(C)=CC(C)(C)N2.
What is the InChIKey of 6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-methylphenoxy)methyl]-1H-quinoline?
The InChIKey is PYCGTYGDBJHXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FNO2/c1-17-8-6-7-9-24(17)31-16-22-20(21-11-10-19(28)14-25(21)30-5)12-13-23-26(22)18(2)15-27(3,4)29-23/h6-15,29H,16H2,1-5H3.
What are the key properties of 6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-methylphenoxy)methyl]-1H-quinoline?
6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-methylphenoxy)methyl]-1H-quinoline has a molecular weight of 417.52 g/mol, XLogP of 7.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-methylphenoxy)methyl]-1H-quinoline is sourced from PubChem (CID 16660318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).