10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenothiazine

C35H25FN2OS — CID 176668897

IUPAC10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenothiazine
SMILESCOc1ccc(-c2cc(-c3ccc(F)cc3)nc3c(N4c5ccccc5Sc5ccccc54)ccc(C)c23)cc1
InChIInChI=1S/C35H25FN2OS/c1-22-11-20-31(38-29-7-3-5-9-32(29)40-33-10-6-4-8-30(33)38)35-34(22)27(23-14-18-26(39-2)19-15-23)21-28(37-35)24-12-16-25(36)17-13-24/h3-21H,1-2H3
InChIKeyOLXPXJFHXDVWDB-UHFFFAOYSA-N
MW540.66 g/mol
LogP9.96
Rot. Bonds4

About 10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenothiazine

10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenothiazine (PubChem CID 176668897) has the molecular formula C35H25FN2OS and a molecular weight of 540.66 g/mol. Its IUPAC name is 10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenothiazine.

Molecular Properties

Compound Name10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenothiazine
PubChem CID176668897
Molecular FormulaC35H25FN2OS
Molecular Weight540.66 g/mol
Exact Mass540.17
IUPAC Name10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenothiazine
SMILESCOc1ccc(-c2cc(-c3ccc(F)cc3)nc3c(N4c5ccccc5Sc5ccccc54)ccc(C)c23)cc1
InChIInChI=1S/C35H25FN2OS/c1-22-11-20-31(38-29-7-3-5-9-32(29)40-33-10-6-4-8-30(33)38)35-34(22)27(23-14-18-26(39-2)19-15-23)21-28(37-35)24-12-16-25(36)17-13-24/h3-21H,1-2H3
InChIKeyOLXPXJFHXDVWDB-UHFFFAOYSA-N
XLogP9.96
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.66
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenothiazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-[5-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine
CID 176668748
10-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenoselenazine
CID 176668973
10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenothiazine
CID 176669074
4-[4-(4-methoxyphenyl)-5-methyl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzonitrile
CID 176668684
5-[2-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]-10-phenylphenazine
CID 176668683
10-[4-(4-tert-butylphenyl)-2-(4-iodo-6-methylcyclohexa-1,3-dien-1-yl)-5-methylquinolin-8-yl]phenothiazine
CID 176669066
10-[2-(4-fluorophenyl)-5-methyl-4-naphthalen-1-ylquinolin-8-yl]phenoxazine
CID 176669028
5-[4-(3,5-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)quinolin-8-yl]-10-phenylphenazine
CID 176669093
5-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]-10-phenylphenazine
CID 176668899
methyl 4-[4-(4-tert-butylphenyl)-5-methyl-8-phenoxazin-10-ylquinolin-2-yl]benzoate
CID 176668849
10-[2-(4-chlorophenyl)-5-methyl-4-naphthalen-1-ylquinolin-8-yl]phenoxazine
CID 176668733
ethyl 4-[5-methyl-4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoate
CID 176668908

Frequently Asked Questions

What is the IUPAC name of 10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenothiazine?
The IUPAC name of 10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenothiazine (CID 176668897) is 10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenothiazine.
What is the SMILES notation for 10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenothiazine?
The canonical SMILES for 10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenothiazine is COc1ccc(-c2cc(-c3ccc(F)cc3)nc3c(N4c5ccccc5Sc5ccccc54)ccc(C)c23)cc1.
What is the InChIKey of 10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenothiazine?
The InChIKey is OLXPXJFHXDVWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25FN2OS/c1-22-11-20-31(38-29-7-3-5-9-32(29)40-33-10-6-4-8-30(33)38)35-34(22)27(23-14-18-26(39-2)19-15-23)21-28(37-35)24-12-16-25(36)17-13-24/h3-21H,1-2H3.
What are the key properties of 10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenothiazine?
10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenothiazine has a molecular weight of 540.66 g/mol, XLogP of 9.96, 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)-5-methylquinolin-8-yl]phenothiazine is sourced from PubChem (CID 176668897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).