10-[4-(3,5-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoselenazine

C37H27F3N2O2Se — CID 176668772

IUPAC10-[4-(3,5-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoselenazine
SMILESCOc1cc(OC)cc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5[Se]c5ccccc54)ccc(C)c23)c1
InChIInChI=1S/C37H27F3N2O2Se/c1-22-12-17-32(42-30-8-4-6-10-33(30)45-34-11-7-5-9-31(34)42)36-35(22)28(24-18-26(43-2)20-27(19-24)44-3)21-29(41-36)23-13-15-25(16-14-23)37(38,39)40/h4-21H,1-3H3
InChIKeyDJTIJLDDUWDWSE-UHFFFAOYSA-N
MW667.59 g/mol
LogP8.35
Rot. Bonds5

About 10-[4-(3,5-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoselenazine

10-[4-(3,5-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoselenazine (PubChem CID 176668772) has the molecular formula C37H27F3N2O2Se and a molecular weight of 667.59 g/mol. Its IUPAC name is 10-[4-(3,5-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoselenazine.

Molecular Properties

Compound Name10-[4-(3,5-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoselenazine
PubChem CID176668772
Molecular FormulaC37H27F3N2O2Se
Molecular Weight667.59 g/mol
Exact Mass668.12
IUPAC Name10-[4-(3,5-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoselenazine
SMILESCOc1cc(OC)cc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5[Se]c5ccccc54)ccc(C)c23)c1
InChIInChI=1S/C37H27F3N2O2Se/c1-22-12-17-32(42-30-8-4-6-10-33(30)45-34-11-7-5-9-31(34)42)36-35(22)28(24-18-26(43-2)20-27(19-24)44-3)21-29(41-36)23-13-15-25(16-14-23)37(38,39)40/h4-21H,1-3H3
InChIKeyDJTIJLDDUWDWSE-UHFFFAOYSA-N
XLogP8.35
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.59
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 10-[4-(3,5-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoselenazine 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

1-(3-aminophenyl)-3-(3,5-dimethoxyphenyl)-N,N-dimethylisoquinolin-7-amine
CID 145987999
2-Methylquinoline;8-[[4-(trifluoromethoxy)phenyl]methoxy]-1,2,3,4-tetrahydrochrysene
CID 174810123
10-[4-(4-Methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
CID 176668598
10-[2-(4-Fluorophenyl)-5-methyl-4-(4-methylphenyl)quinolin-8-yl]phenoxazine
CID 176668607
10-[4-(3,5-Dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine
CID 176668615
5-[4-(3,5-Dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine
CID 176668617
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)-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-[4-(3,5-Dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine
CID 176668724
10-[5-Methyl-4-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoxazine
CID 176668756

Frequently Asked Questions

What is the IUPAC name of 10-[4-(3,5-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoselenazine?
The IUPAC name of 10-[4-(3,5-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoselenazine (CID 176668772) is 10-[4-(3,5-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoselenazine.
What is the SMILES notation for 10-[4-(3,5-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoselenazine?
The canonical SMILES for 10-[4-(3,5-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoselenazine is COc1cc(OC)cc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5[Se]c5ccccc54)ccc(C)c23)c1.
What is the InChIKey of 10-[4-(3,5-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoselenazine?
The InChIKey is DJTIJLDDUWDWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27F3N2O2Se/c1-22-12-17-32(42-30-8-4-6-10-33(30)45-34-11-7-5-9-31(34)42)36-35(22)28(24-18-26(43-2)20-27(19-24)44-3)21-29(41-36)23-13-15-25(16-14-23)37(38,39)40/h4-21H,1-3H3.
What are the key properties of 10-[4-(3,5-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoselenazine?
10-[4-(3,5-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoselenazine has a molecular weight of 667.59 g/mol, XLogP of 8.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(3,5-dimethoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoselenazine is sourced from PubChem (CID 176668772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).