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

C36H25F3N2O2 — CID 176668598

IUPAC10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
SMILESCOc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5Oc5ccccc54)ccc(C)c23)cc1
InChIInChI=1S/C36H25F3N2O2/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
InChIKeyFJPMPRLZQRNRAC-UHFFFAOYSA-N
MW574.60 g/mol
LogP10.48
Rot. Bonds4

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

10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine (PubChem CID 176668598) has the molecular formula C36H25F3N2O2 and a molecular weight of 574.60 g/mol. Its IUPAC name is 10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine.

Molecular Properties

Compound Name10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
PubChem CID176668598
Molecular FormulaC36H25F3N2O2
Molecular Weight574.60 g/mol
Exact Mass574.19
IUPAC Name10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
SMILESCOc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5Oc5ccccc54)ccc(C)c23)cc1
InChIInChI=1S/C36H25F3N2O2/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
InChIKeyFJPMPRLZQRNRAC-UHFFFAOYSA-N
XLogP10.48
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.60
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[6-Fluoro-2-(4-fluorophenyl)-3-pyridinyl]phenoxy]methyl]quinoline
CID 122196331
2-[[4-[2-(4-Fluorophenyl)-6-methoxy-3-pyridinyl]phenoxy]methyl]quinoline
CID 122196407
2,9-Bis(4-methoxyphenyl)-1,10-phenanthroline
CID 13185379
10-[4-[6,7-Difluoro-3-(4-phenoxazin-10-ylphenyl)quinoxalin-2-yl]phenyl]phenoxazine
CID 139188327
Fdqpxz
CID 145766039
1-[4-(2-Fluorophenylmethoxy)phenyl]-3-phenyl-benzo[f]quinoline
CID 129763937
2,9-Bis[(4-methoxyphenyl)methyl]-1,10-phenanthroline
CID 67372925
2-(4-Methoxyphenoxy)-3-phenyl-6-(trifluoromethyl)quinoxaline
CID 386966
3-[(4-Methoxyphenoxy)methyl]-2-phenyl-6-(trifluoromethyl)quinoxaline
CID 389428
2-Methyl-8-[[3-[(2-methylquinolin-8-yl)oxymethyl]naphthalen-2-yl]methoxy]quinoline
CID 76330866
6-(3-Fluorophenyl)-2-methyl-4-(quinolin-2-ylmethyl)-1,4-benzoxazin-3-one
CID 132468965
2-[[4-[(4-Methoxyphenyl)methyl]phenoxy]methyl]-6-(trifluoromethyl)quinoline
CID 20037759

Frequently Asked Questions

What is the IUPAC name of 10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine?
The IUPAC name of 10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine (CID 176668598) is 10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine.
What is the SMILES notation for 10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine?
The canonical SMILES for 10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine is COc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5Oc5ccccc54)ccc(C)c23)cc1.
What is the InChIKey of 10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine?
The InChIKey is FJPMPRLZQRNRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25F3N2O2/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]phenoxazine?
10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine has a molecular weight of 574.60 g/mol, XLogP of 10.48, 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]phenoxazine is sourced from PubChem (CID 176668598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).