10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)quinolin-8-yl]phenothiazine

C34H23FN2OS — CID 176668875

IUPAC10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)quinolin-8-yl]phenothiazine
SMILESCOc1ccc(-c2cc(-c3ccc(F)cc3)nc3c(N4c5ccccc5Sc5ccccc54)cccc23)cc1
InChIInChI=1S/C34H23FN2OS/c1-38-25-19-15-22(16-20-25)27-21-28(23-13-17-24(35)18-14-23)36-34-26(27)7-6-10-31(34)37-29-8-2-4-11-32(29)39-33-12-5-3-9-30(33)37/h2-21H,1H3
InChIKeyBCLWNNBENLUIMI-UHFFFAOYSA-N
MW526.64 g/mol
LogP9.65
Rot. Bonds4

About 10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)quinolin-8-yl]phenothiazine

10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)quinolin-8-yl]phenothiazine (PubChem CID 176668875) has the molecular formula C34H23FN2OS and a molecular weight of 526.64 g/mol. Its IUPAC name is 10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)quinolin-8-yl]phenothiazine.

Molecular Properties

Compound Name10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)quinolin-8-yl]phenothiazine
PubChem CID176668875
Molecular FormulaC34H23FN2OS
Molecular Weight526.64 g/mol
Exact Mass526.15
IUPAC Name10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)quinolin-8-yl]phenothiazine
SMILESCOc1ccc(-c2cc(-c3ccc(F)cc3)nc3c(N4c5ccccc5Sc5ccccc54)cccc23)cc1
InChIInChI=1S/C34H23FN2OS/c1-38-25-19-15-22(16-20-25)27-21-28(23-13-17-24(35)18-14-23)36-34-26(27)7-6-10-31(34)37-29-8-2-4-11-32(29)39-33-12-5-3-9-30(33)37/h2-21H,1H3
InChIKeyBCLWNNBENLUIMI-UHFFFAOYSA-N
XLogP9.65
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.64
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,9-Bis[(4-methoxyphenyl)methyl]-1,10-phenanthroline
CID 67372925
8-[(3-Fluoro-4-methoxybenzyl)sulfanyl]-2-methylquinoline
CID 1232493
6-Methoxy-2-phenyl-3-phenylsulfanyl-4-(trifluoromethyl)quinoline
CID 24808407
2-Fluoro-3-(3-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)quinoline
CID 90911148
2-Fluoro-4-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoline
CID 91041563
2-Fluoro-3-(4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)quinoline
CID 91417242
2-Fluoro-3-(3-fluoro-4-methylphenyl)sulfonyl-4-(4-methoxyphenyl)quinoline
CID 91496743
10-[4-(3,5-Dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine
CID 176668615
10-[4-(4-Methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
CID 176668629
5-[4-(4-Methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine
CID 176668643
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

Frequently Asked Questions

What is the IUPAC name of 10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)quinolin-8-yl]phenothiazine?
The IUPAC name of 10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)quinolin-8-yl]phenothiazine (CID 176668875) is 10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)quinolin-8-yl]phenothiazine.
What is the SMILES notation for 10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)quinolin-8-yl]phenothiazine?
The canonical SMILES for 10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)quinolin-8-yl]phenothiazine is COc1ccc(-c2cc(-c3ccc(F)cc3)nc3c(N4c5ccccc5Sc5ccccc54)cccc23)cc1.
What is the InChIKey of 10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)quinolin-8-yl]phenothiazine?
The InChIKey is BCLWNNBENLUIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23FN2OS/c1-38-25-19-15-22(16-20-25)27-21-28(23-13-17-24(35)18-14-23)36-34-26(27)7-6-10-31(34)37-29-8-2-4-11-32(29)39-33-12-5-3-9-30(33)37/h2-21H,1H3.
What are the key properties of 10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)quinolin-8-yl]phenothiazine?
10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)quinolin-8-yl]phenothiazine has a molecular weight of 526.64 g/mol, XLogP of 9.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)quinolin-8-yl]phenothiazine is sourced from PubChem (CID 176668875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).