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

C35H23F3N2O2 — CID 176668629

IUPAC10-[4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
SMILESCOc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5Oc5ccccc54)cccc23)cc1
InChIInChI=1S/C35H23F3N2O2/c1-41-25-19-15-22(16-20-25)27-21-28(23-13-17-24(18-14-23)35(36,37)38)39-34-26(27)7-6-10-31(34)40-29-8-2-4-11-32(29)42-33-12-5-3-9-30(33)40/h2-21H,1H3
InChIKeyIOUCSADRFPLENF-UHFFFAOYSA-N
MW560.58 g/mol
LogP10.17
Rot. Bonds4

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

10-[4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine (PubChem CID 176668629) has the molecular formula C35H23F3N2O2 and a molecular weight of 560.58 g/mol. Its IUPAC name is 10-[4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine.

Molecular Properties

Compound Name10-[4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
PubChem CID176668629
Molecular FormulaC35H23F3N2O2
Molecular Weight560.58 g/mol
Exact Mass560.17
IUPAC Name10-[4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
SMILESCOc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5Oc5ccccc54)cccc23)cc1
InChIInChI=1S/C35H23F3N2O2/c1-41-25-19-15-22(16-20-25)27-21-28(23-13-17-24(18-14-23)35(36,37)38)39-34-26(27)7-6-10-31(34)40-29-8-2-4-11-32(29)42-33-12-5-3-9-30(33)40/h2-21H,1H3
InChIKeyIOUCSADRFPLENF-UHFFFAOYSA-N
XLogP10.17
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.58
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Fluoro-2,3-bis{4-[2-(piperidin-1-yl)ethoxy]phenyl} quinoline
CID 52918170
2-[[4-[6-Fluoro-2-(4-fluorophenyl)-3-pyridinyl]phenoxy]methyl]quinoline
CID 122196331
[6-(4-Fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]methanol
CID 122196335
2-(Difluoromethoxy)-5-[1-(2-methylquinolin-4-yl)ethenyl]aniline
CID 145959776
2-Phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]quinoxaline
CID 118726432
4-[2-[4-(3-Phenylquinoxalin-2-yl)phenoxy]ethyl]morpholine
CID 118726433
2-(4-Methoxyphenyl)-4-phenyl-3-[4-(4-phenyl-2-quinolyl)phenoxy]quinoline
CID 56968353
2,4-Diphenyl-3-[4-(4-phenyl-2-quinolyl)phenoxy]quinoline
CID 57398656
2-(3-Methoxyphenyl)-4-phenyl-3-[4-(4-phenyl-2-quinolyl)phenoxy]quinoline
CID 57398657
4-Phenyl-2-(4-phenylphenyl)-3-[4-(4-phenyl-2-quinolyl)phenoxy]quinoline
CID 57400340
4-Phenyl-3-[4-(4-phenyl-2-quinolyl)phenoxy]-2-(p-tolyl)quinoline
CID 57403885
2-[[4-[2-(4-Fluorophenyl)-6-methoxy-3-pyridinyl]phenoxy]methyl]quinoline
CID 122196407

Frequently Asked Questions

What is the IUPAC name of 10-[4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine?
The IUPAC name of 10-[4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine (CID 176668629) is 10-[4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine.
What is the SMILES notation for 10-[4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine?
The canonical SMILES for 10-[4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine is COc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5Oc5ccccc54)cccc23)cc1.
What is the InChIKey of 10-[4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine?
The InChIKey is IOUCSADRFPLENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23F3N2O2/c1-41-25-19-15-22(16-20-25)27-21-28(23-13-17-24(18-14-23)35(36,37)38)39-34-26(27)7-6-10-31(34)40-29-8-2-4-11-32(29)42-33-12-5-3-9-30(33)40/h2-21H,1H3.
What are the key properties of 10-[4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine?
10-[4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine has a molecular weight of 560.58 g/mol, XLogP of 10.17, 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)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine is sourced from PubChem (CID 176668629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).