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

C36H25F3N2O3 — CID 176668885

IUPAC10-[4-(3,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
SMILESCOc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5Oc5ccccc54)cccc23)cc1OC
InChIInChI=1S/C36H25F3N2O3/c1-42-33-19-16-23(20-34(33)43-2)26-21-27(22-14-17-24(18-15-22)36(37,38)39)40-35-25(26)8-7-11-30(35)41-28-9-3-5-12-31(28)44-32-13-6-4-10-29(32)41/h3-21H,1-2H3
InChIKeyZTKLLZKKLSKLIZ-UHFFFAOYSA-N
MW590.60 g/mol
LogP10.18
Rot. Bonds5

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

10-[4-(3,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine (PubChem CID 176668885) has the molecular formula C36H25F3N2O3 and a molecular weight of 590.60 g/mol. Its IUPAC name is 10-[4-(3,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine.

Molecular Properties

Compound Name10-[4-(3,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
PubChem CID176668885
Molecular FormulaC36H25F3N2O3
Molecular Weight590.60 g/mol
Exact Mass590.18
IUPAC Name10-[4-(3,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
SMILESCOc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5Oc5ccccc54)cccc23)cc1OC
InChIInChI=1S/C36H25F3N2O3/c1-42-33-19-16-23(20-34(33)43-2)26-21-27(22-14-17-24(18-15-22)36(37,38)39)40-35-25(26)8-7-11-30(35)41-28-9-3-5-12-31(28)44-32-13-6-4-10-29(32)41/h3-21H,1-2H3
InChIKeyZTKLLZKKLSKLIZ-UHFFFAOYSA-N
XLogP10.18
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.60
LogP ≤ 510.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-[4-[6,7-Difluoro-3-(4-phenoxazin-10-ylphenyl)quinoxalin-2-yl]phenyl]phenoxazine
CID 139188327
8-[2-(2-Methoxy-4-prop-2-enylphenoxy)ethoxy]-2-methylquinoline
CID 2183338
8-[12-(2-Methoxy-4-prop-2-enylphenoxy)dodecoxy]-2-methylquinoline
CID 76315315
4-[[2,6-Difluoro-4-[3-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]quinoxalin-5-yl]phenyl]methyl]morpholine
CID 59392728
4-[[2-Fluoro-4-[3-[3-methoxy-4-(2-methoxyethoxy)phenyl]quinoxalin-5-yl]phenyl]methyl]morpholine
CID 59392778
4-[[2,6-Difluoro-4-[3-[3-methoxy-4-(2-methoxyethoxy)phenyl]quinoxalin-5-yl]phenyl]methyl]morpholine
CID 59392818
2-ethoxy-N-[[2-fluoro-4-[3-[3-methoxy-4-(2-methoxyethoxy)phenyl]quinoxalin-5-yl]phenyl]methyl]-N-methylethanamine
CID 68177892
3-[10-(2,6-Difluoro-3-pyridinyl)anthracen-9-yl]-[1,4]benzodioxino[3,2-b]quinoxaline
CID 135215020
4-[2-[4-[8-(3-Fluorophenyl)quinoxalin-2-yl]-2-methoxyphenoxy]ethyl]morpholine
CID 141295660
1,1,1-Trifluoro-4-[3-methoxy-4-(quinolin-2-ylmethoxy)phenyl]-2-methylbutan-2-ol
CID 154645753
1-[3-Methoxy-4-(quinolin-2-ylmethoxy)phenyl]-3-(trifluoromethyl)pentan-3-ol
CID 154645761
10-(11,12-Difluoro-6-phenoxazin-10-ylphenanthro[10,9-b]quinoxalin-3-yl)phenoxazine
CID 155678366

Frequently Asked Questions

What is the IUPAC name of 10-[4-(3,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine?
The IUPAC name of 10-[4-(3,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine (CID 176668885) is 10-[4-(3,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine.
What is the SMILES notation for 10-[4-(3,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine?
The canonical SMILES for 10-[4-(3,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine is COc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5Oc5ccccc54)cccc23)cc1OC.
What is the InChIKey of 10-[4-(3,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine?
The InChIKey is ZTKLLZKKLSKLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25F3N2O3/c1-42-33-19-16-23(20-34(33)43-2)26-21-27(22-14-17-24(18-15-22)36(37,38)39)40-35-25(26)8-7-11-30(35)41-28-9-3-5-12-31(28)44-32-13-6-4-10-29(32)41/h3-21H,1-2H3.
What are the key properties of 10-[4-(3,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine?
10-[4-(3,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine has a molecular weight of 590.60 g/mol, XLogP of 10.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(3,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine is sourced from PubChem (CID 176668885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).