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

C53H53F3N2O5 — CID 160908784

IUPAC6-(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
SMILESCOc1cc(F)ccc1-c1ccc2c(c1COc1ccc(F)cc1)C(C)=CC(C)(C)N2.COc1ccc(OCc2c(-c3ccc(F)cc3OC)ccc3c2C(C)=CC(C)(C)N3)cc1
InChIInChI=1S/C27H28FNO3.C26H25F2NO2/c1-17-15-27(2,3)29-24-13-12-21(22-11-6-18(28)14-25(22)31-5)23(26(17)24)16-32-20-9-7-19(30-4)8-10-20;1-16-14-26(2,3)29-23-12-11-20(21-10-7-18(28)13-24(21)30-4)22(25(16)23)15-31-19-8-5-17(27)6-9-19/h6-15,29H,16H2,1-5H3;5-14,29H,15H2,1-4H3
InChIKeySQMODTVKXBKLQS-UHFFFAOYSA-N
MW855.01 g/mol
LogP13.52
Rot. Bonds11

About 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

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 (PubChem CID 160908784) has the molecular formula C53H53F3N2O5 and a molecular weight of 855.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID160908784
Molecular FormulaC53H53F3N2O5
Molecular Weight855.01 g/mol
Exact Mass854.39
IUPAC Name6-(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
SMILESCOc1cc(F)ccc1-c1ccc2c(c1COc1ccc(F)cc1)C(C)=CC(C)(C)N2.COc1ccc(OCc2c(-c3ccc(F)cc3OC)ccc3c2C(C)=CC(C)(C)N3)cc1
InChIInChI=1S/C27H28FNO3.C26H25F2NO2/c1-17-15-27(2,3)29-24-13-12-21(22-11-6-18(28)14-25(22)31-5)23(26(17)24)16-32-20-9-7-19(30-4)8-10-20;1-16-14-26(2,3)29-23-12-11-20(21-10-7-18(28)13-24(21)30-4)22(25(16)23)15-31-19-8-5-17(27)6-9-19/h6-15,29H,16H2,1-5H3;5-14,29H,15H2,1-4H3
InChIKeySQMODTVKXBKLQS-UHFFFAOYSA-N
XLogP13.52
TPSA70.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.01
LogP ≤ 513.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 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)-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(F)ccc1-c1ccc2c(c1COc1ccc(F)cc1)C(C)=CC(C)(C)N2.COc1ccc(OCc2c(-c3ccc(F)cc3OC)ccc3c2C(C)=CC(C)(C)N3)cc1.
What is the InChIKey of 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?
The InChIKey is SQMODTVKXBKLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FNO3.C26H25F2NO2/c1-17-15-27(2,3)29-24-13-12-21(22-11-6-18(28)14-25(22)31-5)23(26(17)24)16-32-20-9-7-19(30-4)8-10-20;1-16-14-26(2,3)29-23-12-11-20(21-10-7-18(28)13-24(21)30-4)22(25(16)23)15-31-19-8-5-17(27)6-9-19/h6-15,29H,16H2,1-5H3;5-14,29H,15H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 855.01 g/mol, XLogP of 13.52, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160908784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).