10-[4-(3,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine

C36H25F3N2O2S — CID 176668615

IUPAC10-[4-(3,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine
SMILESCOc1cc(OC)cc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5Sc5ccccc54)cccc23)c1
InChIInChI=1S/C36H25F3N2O2S/c1-42-25-18-23(19-26(20-25)43-2)28-21-29(22-14-16-24(17-15-22)36(37,38)39)40-35-27(28)8-7-11-32(35)41-30-9-3-5-12-33(30)44-34-13-6-4-10-31(34)41/h3-21H,1-2H3
InChIKeyLOLYBNCGWYFZFS-UHFFFAOYSA-N
MW606.67 g/mol
LogP10.54
Rot. Bonds5

About 10-[4-(3,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine

10-[4-(3,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine (PubChem CID 176668615) has the molecular formula C36H25F3N2O2S and a molecular weight of 606.67 g/mol. Its IUPAC name is 10-[4-(3,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine.

Molecular Properties

Compound Name10-[4-(3,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine
PubChem CID176668615
Molecular FormulaC36H25F3N2O2S
Molecular Weight606.67 g/mol
Exact Mass606.16
IUPAC Name10-[4-(3,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine
SMILESCOc1cc(OC)cc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5Sc5ccccc54)cccc23)c1
InChIInChI=1S/C36H25F3N2O2S/c1-42-25-18-23(19-26(20-25)43-2)28-21-29(22-14-16-24(17-15-22)36(37,38)39)40-35-27(28)8-7-11-32(35)41-30-9-3-5-12-33(30)44-34-13-6-4-10-31(34)41/h3-21H,1-2H3
InChIKeyLOLYBNCGWYFZFS-UHFFFAOYSA-N
XLogP10.54
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.67
LogP ≤ 510.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-[4-(3,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine with MolForge

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Related Compounds

5-[4-(3,5-Dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine
CID 176668617
5-[4-(4-Methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine
CID 176668643
10-[4-(3,4-Dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]phenothiazine
CID 176668655
10-[4-(3,4-Dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine
CID 176668715
5-[4-(3,5-Dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine
CID 176668724
10-[4-(3,5-Dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoselenazine
CID 176668772
10-[4-(3,5-Dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]phenoxazine
CID 176668840
10-[4-(3,4-Dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenothiazine
CID 176668865
10-[2-(4-Fluorophenyl)-4-(4-methoxyphenyl)quinolin-8-yl]phenothiazine
CID 176668875
10-[2-(4-Fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenothiazine
CID 176668897
5-[4-(3,5-Dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]-10-phenylphenazine
CID 176668899
10-[4-(3,5-Dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenoselenazine
CID 176668928

Frequently Asked Questions

What is the IUPAC name of 10-[4-(3,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine?
The IUPAC name of 10-[4-(3,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine (CID 176668615) is 10-[4-(3,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine.
What is the SMILES notation for 10-[4-(3,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine?
The canonical SMILES for 10-[4-(3,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine is COc1cc(OC)cc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5Sc5ccccc54)cccc23)c1.
What is the InChIKey of 10-[4-(3,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine?
The InChIKey is LOLYBNCGWYFZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25F3N2O2S/c1-42-25-18-23(19-26(20-25)43-2)28-21-29(22-14-16-24(17-15-22)36(37,38)39)40-35-27(28)8-7-11-32(35)41-30-9-3-5-12-33(30)44-34-13-6-4-10-31(34)41/h3-21H,1-2H3.
What are the key properties of 10-[4-(3,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine?
10-[4-(3,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine has a molecular weight of 606.67 g/mol, XLogP of 10.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(3,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine is sourced from PubChem (CID 176668615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).