2-[2-[[6-(5-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methoxy]phenyl]ethanol

C28H30FNO3 — CID 58027183

IUPAC2-[2-[[6-(5-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methoxy]phenyl]ethanol
SMILESCOc1ccc(F)cc1-c1ccc2c(c1COc1ccccc1CCO)C(C)=CC(C)(C)N2
InChIInChI=1S/C28H30FNO3/c1-18-16-28(2,3)30-24-11-10-21(22-15-20(29)9-12-26(22)32-4)23(27(18)24)17-33-25-8-6-5-7-19(25)13-14-31/h5-12,15-16,30-31H,13-14,17H2,1-4H3
InChIKeyKUCJWMKBECZACY-UHFFFAOYSA-N
MW447.55 g/mol
LogP6.22
Rot. Bonds7

About 2-[2-[[6-(5-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methoxy]phenyl]ethanol

2-[2-[[6-(5-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methoxy]phenyl]ethanol (PubChem CID 58027183) has the molecular formula C28H30FNO3 and a molecular weight of 447.55 g/mol. Its IUPAC name is 2-[2-[[6-(5-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[[6-(5-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methoxy]phenyl]ethanol
PubChem CID58027183
Molecular FormulaC28H30FNO3
Molecular Weight447.55 g/mol
Exact Mass447.22
IUPAC Name2-[2-[[6-(5-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methoxy]phenyl]ethanol
SMILESCOc1ccc(F)cc1-c1ccc2c(c1COc1ccccc1CCO)C(C)=CC(C)(C)N2
InChIInChI=1S/C28H30FNO3/c1-18-16-28(2,3)30-24-11-10-21(22-15-20(29)9-12-26(22)32-4)23(27(18)24)17-33-25-8-6-5-7-19(25)13-14-31/h5-12,15-16,30-31H,13-14,17H2,1-4H3
InChIKeyKUCJWMKBECZACY-UHFFFAOYSA-N
XLogP6.22
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.55
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[[6-(5-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methoxy]phenyl]ethanol 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 2-[2-[[6-(5-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methoxy]phenyl]ethanol?
The IUPAC name of 2-[2-[[6-(5-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methoxy]phenyl]ethanol (CID 58027183) is 2-[2-[[6-(5-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methoxy]phenyl]ethanol.
What is the SMILES notation for 2-[2-[[6-(5-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methoxy]phenyl]ethanol?
The canonical SMILES for 2-[2-[[6-(5-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methoxy]phenyl]ethanol is COc1ccc(F)cc1-c1ccc2c(c1COc1ccccc1CCO)C(C)=CC(C)(C)N2.
What is the InChIKey of 2-[2-[[6-(5-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methoxy]phenyl]ethanol?
The InChIKey is KUCJWMKBECZACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FNO3/c1-18-16-28(2,3)30-24-11-10-21(22-15-20(29)9-12-26(22)32-4)23(27(18)24)17-33-25-8-6-5-7-19(25)13-14-31/h5-12,15-16,30-31H,13-14,17H2,1-4H3.
What are the key properties of 2-[2-[[6-(5-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methoxy]phenyl]ethanol?
2-[2-[[6-(5-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methoxy]phenyl]ethanol has a molecular weight of 447.55 g/mol, XLogP of 6.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[6-(5-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methoxy]phenyl]ethanol is sourced from PubChem (CID 58027183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).