(3R)-3-(4-methoxyphenyl)-6-methyl-3-(trifluoromethyl)-4H-quinoline

C18H16F3NO — CID 172643292

IUPAC(3R)-3-(4-methoxyphenyl)-6-methyl-3-(trifluoromethyl)-4H-quinoline
SMILESCOc1ccc([C@@]2(C(F)(F)F)C=Nc3ccc(C)cc3C2)cc1
InChIInChI=1S/C18H16F3NO/c1-12-3-8-16-13(9-12)10-17(11-22-16,18(19,20)21)14-4-6-15(23-2)7-5-14/h3-9,11H,10H2,1-2H3/t17-/m0/s1
InChIKeyVOKOSVOJJKMZKZ-KRWDZBQOSA-N
MW319.33 g/mol
LogP4.76
Rot. Bonds2

About (3R)-3-(4-methoxyphenyl)-6-methyl-3-(trifluoromethyl)-4H-quinoline

(3R)-3-(4-methoxyphenyl)-6-methyl-3-(trifluoromethyl)-4H-quinoline (PubChem CID 172643292) has the molecular formula C18H16F3NO and a molecular weight of 319.33 g/mol. Its IUPAC name is (3R)-3-(4-methoxyphenyl)-6-methyl-3-(trifluoromethyl)-4H-quinoline.

Molecular Properties

Compound Name(3R)-3-(4-methoxyphenyl)-6-methyl-3-(trifluoromethyl)-4H-quinoline
PubChem CID172643292
Molecular FormulaC18H16F3NO
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name(3R)-3-(4-methoxyphenyl)-6-methyl-3-(trifluoromethyl)-4H-quinoline
SMILESCOc1ccc([C@@]2(C(F)(F)F)C=Nc3ccc(C)cc3C2)cc1
InChIInChI=1S/C18H16F3NO/c1-12-3-8-16-13(9-12)10-17(11-22-16,18(19,20)21)14-4-6-15(23-2)7-5-14/h3-9,11H,10H2,1-2H3/t17-/m0/s1
InChIKeyVOKOSVOJJKMZKZ-KRWDZBQOSA-N
XLogP4.76
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(p-Methoxybenzylidene)-p-butylaniline
CID 33363
(E)-N-(4-Methylphenyl)-1-[4-(nonyloxy)phenyl]methanimine
CID 298710
(4-Octyloxy-benzylidene)-P-tolyl-amine
CID 298713
3H-Indole, 2-(2-methoxy-5-methylphenyl)-3,3-dimethyl-
CID 828259
(6-Methoxy-3,4-dihydro-2h-naphthalen-1-ylidene)-(2-trifluoromethyl-phenyl)-amine
CID 2818136
p-Methoxybenzylidene p-biphenylamine
CID 141218
p-Heptyloxybenzylidene p-heptylaniline
CID 142377
2-[2-(4-Methoxyphenyl)vinyl]-3,3-dimethyl-3H-indole
CID 5378011
1-(4-methoxyphenyl)-N-(4-styrylphenyl)methanimine
CID 628676
Benzenamine, N-[(4-butoxyphenyl)methylene]-4-pentyl-
CID 123488
(E)-N-(4-Heptylphenyl)-1-(4-propoxyphenyl)methanimine
CID 298707
N-(4-Methoxybenzylidene)-3,4-xylidine
CID 617432

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-methoxyphenyl)-6-methyl-3-(trifluoromethyl)-4H-quinoline?
The IUPAC name of (3R)-3-(4-methoxyphenyl)-6-methyl-3-(trifluoromethyl)-4H-quinoline (CID 172643292) is (3R)-3-(4-methoxyphenyl)-6-methyl-3-(trifluoromethyl)-4H-quinoline.
What is the SMILES notation for (3R)-3-(4-methoxyphenyl)-6-methyl-3-(trifluoromethyl)-4H-quinoline?
The canonical SMILES for (3R)-3-(4-methoxyphenyl)-6-methyl-3-(trifluoromethyl)-4H-quinoline is COc1ccc([C@@]2(C(F)(F)F)C=Nc3ccc(C)cc3C2)cc1.
What is the InChIKey of (3R)-3-(4-methoxyphenyl)-6-methyl-3-(trifluoromethyl)-4H-quinoline?
The InChIKey is VOKOSVOJJKMZKZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H16F3NO/c1-12-3-8-16-13(9-12)10-17(11-22-16,18(19,20)21)14-4-6-15(23-2)7-5-14/h3-9,11H,10H2,1-2H3/t17-/m0/s1.
What are the key properties of (3R)-3-(4-methoxyphenyl)-6-methyl-3-(trifluoromethyl)-4H-quinoline?
(3R)-3-(4-methoxyphenyl)-6-methyl-3-(trifluoromethyl)-4H-quinoline has a molecular weight of 319.33 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-methoxyphenyl)-6-methyl-3-(trifluoromethyl)-4H-quinoline is sourced from PubChem (CID 172643292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).