10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine

C36H25F3N2OS — CID 176669000

IUPAC10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine
SMILESCOc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5Sc5ccccc54)ccc(C)c23)cc1
InChIInChI=1S/C36H25F3N2OS/c1-22-11-20-31(41-29-7-3-5-9-32(29)43-33-10-6-4-8-30(33)41)35-34(22)27(23-14-18-26(42-2)19-15-23)21-28(40-35)24-12-16-25(17-13-24)36(37,38)39/h3-21H,1-2H3
InChIKeyKTLVERJJRXSZGO-UHFFFAOYSA-N
MW590.67 g/mol
LogP10.84
Rot. Bonds4

About 10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine

10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine (PubChem CID 176669000) has the molecular formula C36H25F3N2OS and a molecular weight of 590.67 g/mol. Its IUPAC name is 10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine.

Molecular Properties

Compound Name10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine
PubChem CID176669000
Molecular FormulaC36H25F3N2OS
Molecular Weight590.67 g/mol
Exact Mass590.16
IUPAC Name10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine
SMILESCOc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5Sc5ccccc54)ccc(C)c23)cc1
InChIInChI=1S/C36H25F3N2OS/c1-22-11-20-31(41-29-7-3-5-9-32(29)43-33-10-6-4-8-30(33)41)35-34(22)27(23-14-18-26(42-2)19-15-23)21-28(40-35)24-12-16-25(17-13-24)36(37,38)39/h3-21H,1-2H3
InChIKeyKTLVERJJRXSZGO-UHFFFAOYSA-N
XLogP10.84
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.67
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,7-Trimethyl-6-[4-[4-(trifluoromethoxy)phenyl]sulfanylphenyl]quinoline
CID 175209628
10-[4-(4-Methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
CID 176668598
10-[4-(3,5-Dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine
CID 176668615
5-[4-(3,5-Dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine
CID 176668617
10-[4-(4-Methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
CID 176668629
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
10-[4-(4-Methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoselenazine
CID 176668717
10-[5-Methyl-4-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
CID 176668756
10-[4-(3,5-Dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoselenazine
CID 176668772
5-[2-(4-Fluorophenyl)-4-(4-methoxyphenyl)quinolin-8-yl]-10-phenylphenazine
CID 176668778

Frequently Asked Questions

What is the IUPAC name of 10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine?
The IUPAC name of 10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine (CID 176669000) is 10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine.
What is the SMILES notation for 10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine?
The canonical SMILES for 10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine is COc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5Sc5ccccc54)ccc(C)c23)cc1.
What is the InChIKey of 10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine?
The InChIKey is KTLVERJJRXSZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25F3N2OS/c1-22-11-20-31(41-29-7-3-5-9-32(29)43-33-10-6-4-8-30(33)41)35-34(22)27(23-14-18-26(42-2)19-15-23)21-28(40-35)24-12-16-25(17-13-24)36(37,38)39/h3-21H,1-2H3.
What are the key properties of 10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine?
10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine has a molecular weight of 590.67 g/mol, XLogP of 10.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine is sourced from PubChem (CID 176669000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).