2-methoxy-5-[6-methoxy-7-(trifluoromethyl)quinolin-4-yl]phenol

C18H14F3NO3 — CID 66559035

IUPAC2-methoxy-5-[6-methoxy-7-(trifluoromethyl)quinolin-4-yl]phenol
SMILESCOc1ccc(-c2ccnc3cc(C(F)(F)F)c(OC)cc23)cc1O
InChIInChI=1S/C18H14F3NO3/c1-24-16-4-3-10(7-15(16)23)11-5-6-22-14-9-13(18(19,20)21)17(25-2)8-12(11)14/h3-9,23H,1-2H3
InChIKeyKIWAWLNETWXIOA-UHFFFAOYSA-N
MW349.31 g/mol
LogP4.64
Rot. Bonds3

About 2-methoxy-5-[6-methoxy-7-(trifluoromethyl)quinolin-4-yl]phenol

2-methoxy-5-[6-methoxy-7-(trifluoromethyl)quinolin-4-yl]phenol (PubChem CID 66559035) has the molecular formula C18H14F3NO3 and a molecular weight of 349.31 g/mol. Its IUPAC name is 2-methoxy-5-[6-methoxy-7-(trifluoromethyl)quinolin-4-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[6-methoxy-7-(trifluoromethyl)quinolin-4-yl]phenol
PubChem CID66559035
Molecular FormulaC18H14F3NO3
Molecular Weight349.31 g/mol
Exact Mass349.09
IUPAC Name2-methoxy-5-[6-methoxy-7-(trifluoromethyl)quinolin-4-yl]phenol
SMILESCOc1ccc(-c2ccnc3cc(C(F)(F)F)c(OC)cc23)cc1O
InChIInChI=1S/C18H14F3NO3/c1-24-16-4-3-10(7-15(16)23)11-5-6-22-14-9-13(18(19,20)21)17(25-2)8-12(11)14/h3-9,23H,1-2H3
InChIKeyKIWAWLNETWXIOA-UHFFFAOYSA-N
XLogP4.64
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-5-[6-methoxy-7-(trifluoromethyl)quinolin-4-yl]phenol 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-methoxy-5-[6-methoxy-7-(trifluoromethyl)quinolin-4-yl]phenol?
The IUPAC name of 2-methoxy-5-[6-methoxy-7-(trifluoromethyl)quinolin-4-yl]phenol (CID 66559035) is 2-methoxy-5-[6-methoxy-7-(trifluoromethyl)quinolin-4-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[6-methoxy-7-(trifluoromethyl)quinolin-4-yl]phenol?
The canonical SMILES for 2-methoxy-5-[6-methoxy-7-(trifluoromethyl)quinolin-4-yl]phenol is COc1ccc(-c2ccnc3cc(C(F)(F)F)c(OC)cc23)cc1O.
What is the InChIKey of 2-methoxy-5-[6-methoxy-7-(trifluoromethyl)quinolin-4-yl]phenol?
The InChIKey is KIWAWLNETWXIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO3/c1-24-16-4-3-10(7-15(16)23)11-5-6-22-14-9-13(18(19,20)21)17(25-2)8-12(11)14/h3-9,23H,1-2H3.
What are the key properties of 2-methoxy-5-[6-methoxy-7-(trifluoromethyl)quinolin-4-yl]phenol?
2-methoxy-5-[6-methoxy-7-(trifluoromethyl)quinolin-4-yl]phenol has a molecular weight of 349.31 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[6-methoxy-7-(trifluoromethyl)quinolin-4-yl]phenol is sourced from PubChem (CID 66559035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).