10-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenothiazine

C36H27FN2O2S — CID 176668865

IUPAC10-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenothiazine
SMILESCOc1ccc(-c2cc(-c3ccc(F)cc3)nc3c(N4c5ccccc5Sc5ccccc54)ccc(C)c23)cc1OC
InChIInChI=1S/C36H27FN2O2S/c1-22-12-18-30(39-28-8-4-6-10-33(28)42-34-11-7-5-9-29(34)39)36-35(22)26(24-15-19-31(40-2)32(20-24)41-3)21-27(38-36)23-13-16-25(37)17-14-23/h4-21H,1-3H3
InChIKeyFERGJAVIXZRMCD-UHFFFAOYSA-N
MW570.69 g/mol
LogP9.97
Rot. Bonds5

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

10-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenothiazine (PubChem CID 176668865) has the molecular formula C36H27FN2O2S and a molecular weight of 570.69 g/mol. Its IUPAC name is 10-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenothiazine.

Molecular Properties

Compound Name10-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenothiazine
PubChem CID176668865
Molecular FormulaC36H27FN2O2S
Molecular Weight570.69 g/mol
Exact Mass570.18
IUPAC Name10-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenothiazine
SMILESCOc1ccc(-c2cc(-c3ccc(F)cc3)nc3c(N4c5ccccc5Sc5ccccc54)ccc(C)c23)cc1OC
InChIInChI=1S/C36H27FN2O2S/c1-22-12-18-30(39-28-8-4-6-10-33(28)42-34-11-7-5-9-29(34)39)36-35(22)26(24-15-19-31(40-2)32(20-24)41-3)21-27(38-36)23-13-16-25(37)17-14-23/h4-21H,1-3H3
InChIKeyFERGJAVIXZRMCD-UHFFFAOYSA-N
XLogP9.97
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.69
LogP ≤ 59.97
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
10-[4-(3,4-Dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]phenothiazine
CID 176668655
10-[4-(3,4-Dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine
CID 176668715
10-[4-(4-Methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoselenazine
CID 176668717
5-[2-(4-Fluorophenyl)-4-(4-methoxyphenyl)quinolin-8-yl]-10-phenylphenazine
CID 176668778
5-[4-(4-Methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine
CID 176668782
5-[4-(3,4-Dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine
CID 176668824
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-(3,4-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)-5-methylquinolin-8-yl]phenothiazine?
The IUPAC name of 10-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenothiazine (CID 176668865) is 10-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenothiazine.
What is the SMILES notation for 10-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenothiazine?
The canonical SMILES for 10-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenothiazine is COc1ccc(-c2cc(-c3ccc(F)cc3)nc3c(N4c5ccccc5Sc5ccccc54)ccc(C)c23)cc1OC.
What is the InChIKey of 10-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenothiazine?
The InChIKey is FERGJAVIXZRMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27FN2O2S/c1-22-12-18-30(39-28-8-4-6-10-33(28)42-34-11-7-5-9-29(34)39)36-35(22)26(24-15-19-31(40-2)32(20-24)41-3)21-27(38-36)23-13-16-25(37)17-14-23/h4-21H,1-3H3.
What are the key properties of 10-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenothiazine?
10-[4-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5-methylquinolin-8-yl]phenothiazine has a molecular weight of 570.69 g/mol, XLogP of 9.97, 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)-5-methylquinolin-8-yl]phenothiazine is sourced from PubChem (CID 176668865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).