(3R)-5-methoxy-3-(4-methoxyphenyl)-3-(trifluoromethyl)-4H-quinoline

C18H16F3NO2 — CID 172643167

IUPAC(3R)-5-methoxy-3-(4-methoxyphenyl)-3-(trifluoromethyl)-4H-quinoline
SMILESCOc1ccc([C@@]2(C(F)(F)F)C=Nc3cccc(OC)c3C2)cc1
InChIInChI=1S/C18H16F3NO2/c1-23-13-8-6-12(7-9-13)17(18(19,20)21)10-14-15(22-11-17)4-3-5-16(14)24-2/h3-9,11H,10H2,1-2H3/t17-/m0/s1
InChIKeySSRDWAGITJBUHO-KRWDZBQOSA-N
MW335.33 g/mol
LogP4.46
Rot. Bonds3

About (3R)-5-methoxy-3-(4-methoxyphenyl)-3-(trifluoromethyl)-4H-quinoline

(3R)-5-methoxy-3-(4-methoxyphenyl)-3-(trifluoromethyl)-4H-quinoline (PubChem CID 172643167) has the molecular formula C18H16F3NO2 and a molecular weight of 335.33 g/mol. Its IUPAC name is (3R)-5-methoxy-3-(4-methoxyphenyl)-3-(trifluoromethyl)-4H-quinoline.

Molecular Properties

Compound Name(3R)-5-methoxy-3-(4-methoxyphenyl)-3-(trifluoromethyl)-4H-quinoline
PubChem CID172643167
Molecular FormulaC18H16F3NO2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC Name(3R)-5-methoxy-3-(4-methoxyphenyl)-3-(trifluoromethyl)-4H-quinoline
SMILESCOc1ccc([C@@]2(C(F)(F)F)C=Nc3cccc(OC)c3C2)cc1
InChIInChI=1S/C18H16F3NO2/c1-23-13-8-6-12(7-9-13)17(18(19,20)21)10-14-15(22-11-17)4-3-5-16(14)24-2/h3-9,11H,10H2,1-2H3/t17-/m0/s1
InChIKeySSRDWAGITJBUHO-KRWDZBQOSA-N
XLogP4.46
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-methoxy-3-(4-methoxyphenyl)-3-(trifluoromethyl)-4H-quinoline?
The IUPAC name of (3R)-5-methoxy-3-(4-methoxyphenyl)-3-(trifluoromethyl)-4H-quinoline (CID 172643167) is (3R)-5-methoxy-3-(4-methoxyphenyl)-3-(trifluoromethyl)-4H-quinoline.
What is the SMILES notation for (3R)-5-methoxy-3-(4-methoxyphenyl)-3-(trifluoromethyl)-4H-quinoline?
The canonical SMILES for (3R)-5-methoxy-3-(4-methoxyphenyl)-3-(trifluoromethyl)-4H-quinoline is COc1ccc([C@@]2(C(F)(F)F)C=Nc3cccc(OC)c3C2)cc1.
What is the InChIKey of (3R)-5-methoxy-3-(4-methoxyphenyl)-3-(trifluoromethyl)-4H-quinoline?
The InChIKey is SSRDWAGITJBUHO-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H16F3NO2/c1-23-13-8-6-12(7-9-13)17(18(19,20)21)10-14-15(22-11-17)4-3-5-16(14)24-2/h3-9,11H,10H2,1-2H3/t17-/m0/s1.
What are the key properties of (3R)-5-methoxy-3-(4-methoxyphenyl)-3-(trifluoromethyl)-4H-quinoline?
(3R)-5-methoxy-3-(4-methoxyphenyl)-3-(trifluoromethyl)-4H-quinoline has a molecular weight of 335.33 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-methoxy-3-(4-methoxyphenyl)-3-(trifluoromethyl)-4H-quinoline is sourced from PubChem (CID 172643167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).