10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]phenoxazine

C35H25FN2O3 — CID 176668840

IUPAC10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]phenoxazine
SMILESCOc1cc(OC)cc(-c2cc(-c3ccc(F)cc3)nc3c(N4c5ccccc5Oc5ccccc54)cccc23)c1
InChIInChI=1S/C35H25FN2O3/c1-39-25-18-23(19-26(20-25)40-2)28-21-29(22-14-16-24(36)17-15-22)37-35-27(28)8-7-11-32(35)38-30-9-3-5-12-33(30)41-34-13-6-4-10-31(34)38/h3-21H,1-2H3
InChIKeyJJDONXPITVPVAW-UHFFFAOYSA-N
MW540.59 g/mol
LogP9.30
Rot. Bonds5

About 10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]phenoxazine

10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]phenoxazine (PubChem CID 176668840) has the molecular formula C35H25FN2O3 and a molecular weight of 540.59 g/mol. Its IUPAC name is 10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]phenoxazine.

Molecular Properties

Compound Name10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]phenoxazine
PubChem CID176668840
Molecular FormulaC35H25FN2O3
Molecular Weight540.59 g/mol
Exact Mass540.18
IUPAC Name10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]phenoxazine
SMILESCOc1cc(OC)cc(-c2cc(-c3ccc(F)cc3)nc3c(N4c5ccccc5Oc5ccccc54)cccc23)c1
InChIInChI=1S/C35H25FN2O3/c1-39-25-18-23(19-26(20-25)40-2)28-21-29(22-14-16-24(36)17-15-22)37-35-27(28)8-7-11-32(35)38-30-9-3-5-12-33(30)41-34-13-6-4-10-31(34)38/h3-21H,1-2H3
InChIKeyJJDONXPITVPVAW-UHFFFAOYSA-N
XLogP9.30
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.59
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[[1-[[3,5-Diethoxy-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]methoxy]quinoline
CID 145993203
2-(3-Methoxyphenyl)-4-phenyl-3-[4-(4-phenyl-2-quinolyl)phenoxy]quinoline
CID 57398657
4-[2-(4-Benzylpiperazin-1-yl)ethoxy]-6,8-dimethoxy-2-(4-propoxyphenyl)quinoline
CID 168286723
10-[4-[6,7-Difluoro-3-(4-phenoxazin-10-ylphenyl)quinoxalin-2-yl]phenyl]phenoxazine
CID 139188327
Fdqpxz
CID 145766039
2-(3,5-Dimethoxyphenoxy)-3-phenyl-6-(trifluoromethyl)quinoxaline
CID 384951
3-[(3,5-Dimethoxyphenoxy)methyl]-2-phenyl-6-(trifluoromethyl)quinoxaline
CID 389427
2-(3,5-Dimethoxyphenoxy)-6,7-difluoro-3-phenylquinoxaline
CID 394497
2,3-Bis[(2-methylquinolin-8-yl)oxymethyl]quinoxaline
CID 76319972
2-Methyl-8-[[3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline
CID 76327209
2-[2-[[3-[(6,7-Difluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenoxy]acetonitrile
CID 22241284
2-[2-[[3-[(6,8-Difluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenoxy]acetonitrile
CID 22241332

Frequently Asked Questions

What is the IUPAC name of 10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]phenoxazine?
The IUPAC name of 10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]phenoxazine (CID 176668840) is 10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]phenoxazine.
What is the SMILES notation for 10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]phenoxazine?
The canonical SMILES for 10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]phenoxazine is COc1cc(OC)cc(-c2cc(-c3ccc(F)cc3)nc3c(N4c5ccccc5Oc5ccccc54)cccc23)c1.
What is the InChIKey of 10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]phenoxazine?
The InChIKey is JJDONXPITVPVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25FN2O3/c1-39-25-18-23(19-26(20-25)40-2)28-21-29(22-14-16-24(36)17-15-22)37-35-27(28)8-7-11-32(35)38-30-9-3-5-12-33(30)41-34-13-6-4-10-31(34)38/h3-21H,1-2H3.
What are the key properties of 10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]phenoxazine?
10-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]phenoxazine has a molecular weight of 540.59 g/mol, XLogP of 9.30, 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-fluorophenyl)quinolin-8-yl]phenoxazine is sourced from PubChem (CID 176668840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).