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

C35H25FN2O2S — CID 176668655

IUPAC10-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]phenothiazine
SMILESCOc1ccc(-c2cc(-c3ccc(F)cc3)nc3c(N4c5ccccc5Sc5ccccc54)cccc23)cc1OC
InChIInChI=1S/C35H25FN2O2S/c1-39-31-19-16-23(20-32(31)40-2)26-21-27(22-14-17-24(36)18-15-22)37-35-25(26)8-7-11-30(35)38-28-9-3-5-12-33(28)41-34-13-6-4-10-29(34)38/h3-21H,1-2H3
InChIKeyZXKXRQTWRSSKML-UHFFFAOYSA-N
MW556.66 g/mol
LogP9.66
Rot. Bonds5

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

10-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]phenothiazine (PubChem CID 176668655) has the molecular formula C35H25FN2O2S and a molecular weight of 556.66 g/mol. Its IUPAC name is 10-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]phenothiazine.

Molecular Properties

Compound Name10-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]phenothiazine
PubChem CID176668655
Molecular FormulaC35H25FN2O2S
Molecular Weight556.66 g/mol
Exact Mass556.16
IUPAC Name10-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]phenothiazine
SMILESCOc1ccc(-c2cc(-c3ccc(F)cc3)nc3c(N4c5ccccc5Sc5ccccc54)cccc23)cc1OC
InChIInChI=1S/C35H25FN2O2S/c1-39-31-19-16-23(20-32(31)40-2)26-21-27(22-14-17-24(36)18-15-22)37-35-25(26)8-7-11-30(35)38-28-9-3-5-12-33(28)41-34-13-6-4-10-29(34)38/h3-21H,1-2H3
InChIKeyZXKXRQTWRSSKML-UHFFFAOYSA-N
XLogP9.66
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.66
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-[4-(3,5-Dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine
CID 176668615
5-[4-(4-Methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine
CID 176668643
10-[4-(3,4-Dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine
CID 176668715
5-[2-(4-Fluorophenyl)-4-(4-methoxyphenyl)quinolin-8-yl]-10-phenylphenazine
CID 176668778
5-[4-(3,4-Dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine
CID 176668824
10-[4-(3,4-Dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenothiazine
CID 176668865
10-[2-(4-Fluorophenyl)-4-(4-methoxyphenyl)quinolin-8-yl]phenothiazine
CID 176668875
10-[4-(3,4-Dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
CID 176668885
10-[2-(4-Fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenothiazine
CID 176668897
5-[4-(3,5-Dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]-10-phenylphenazine
CID 176668899
5-[4-(3,4-Dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]-10-phenylphenazine
CID 176668906
5-[2-(4-Fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]-10-phenylphenazine
CID 176668914

Frequently Asked Questions

What is the IUPAC name of 10-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]phenothiazine?
The IUPAC name of 10-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]phenothiazine (CID 176668655) is 10-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]phenothiazine.
What is the SMILES notation for 10-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]phenothiazine?
The canonical SMILES for 10-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]phenothiazine is COc1ccc(-c2cc(-c3ccc(F)cc3)nc3c(N4c5ccccc5Sc5ccccc54)cccc23)cc1OC.
What is the InChIKey of 10-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]phenothiazine?
The InChIKey is ZXKXRQTWRSSKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25FN2O2S/c1-39-31-19-16-23(20-32(31)40-2)26-21-27(22-14-17-24(36)18-15-22)37-35-25(26)8-7-11-30(35)38-28-9-3-5-12-33(28)41-34-13-6-4-10-29(34)38/h3-21H,1-2H3.
What are the key properties of 10-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]phenothiazine?
10-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]phenothiazine has a molecular weight of 556.66 g/mol, XLogP of 9.66, 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-fluorophenyl)quinolin-8-yl]phenothiazine is sourced from PubChem (CID 176668655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).