5,6-dimethoxy-3,4-diphenyl-1-(2,2,2-trifluoroethyl)isoquinoline

C25H20F3NO2 — CID 138975292

IUPAC5,6-dimethoxy-3,4-diphenyl-1-(2,2,2-trifluoroethyl)isoquinoline
SMILESCOc1ccc2c(CC(F)(F)F)nc(-c3ccccc3)c(-c3ccccc3)c2c1OC
InChIInChI=1S/C25H20F3NO2/c1-30-20-14-13-18-19(15-25(26,27)28)29-23(17-11-7-4-8-12-17)21(22(18)24(20)31-2)16-9-5-3-6-10-16/h3-14H,15H2,1-2H3
InChIKeyBOQCDRGTHHGMDA-UHFFFAOYSA-N
MW423.43 g/mol
LogP6.69
Rot. Bonds5

About 5,6-dimethoxy-3,4-diphenyl-1-(2,2,2-trifluoroethyl)isoquinoline

5,6-dimethoxy-3,4-diphenyl-1-(2,2,2-trifluoroethyl)isoquinoline (PubChem CID 138975292) has the molecular formula C25H20F3NO2 and a molecular weight of 423.43 g/mol. Its IUPAC name is 5,6-dimethoxy-3,4-diphenyl-1-(2,2,2-trifluoroethyl)isoquinoline.

Molecular Properties

Compound Name5,6-dimethoxy-3,4-diphenyl-1-(2,2,2-trifluoroethyl)isoquinoline
PubChem CID138975292
Molecular FormulaC25H20F3NO2
Molecular Weight423.43 g/mol
Exact Mass423.14
IUPAC Name5,6-dimethoxy-3,4-diphenyl-1-(2,2,2-trifluoroethyl)isoquinoline
SMILESCOc1ccc2c(CC(F)(F)F)nc(-c3ccccc3)c(-c3ccccc3)c2c1OC
InChIInChI=1S/C25H20F3NO2/c1-30-20-14-13-18-19(15-25(26,27)28)29-23(17-11-7-4-8-12-17)21(22(18)24(20)31-2)16-9-5-3-6-10-16/h3-14H,15H2,1-2H3
InChIKeyBOQCDRGTHHGMDA-UHFFFAOYSA-N
XLogP6.69
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.43
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,6-dimethoxy-3,4-diphenyl-1-(2,2,2-trifluoroethyl)isoquinoline 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

7-bromo-3,4-diphenyl-1-(2,2,2-trifluoroethyl)isoquinoline
CID 138975290
7,8-dimethoxy-1-phenylisoquinoline
CID 134913622
2-amino-5,6-dimethoxy-4-phenylquinoline-3-carbonitrile
CID 70227227
[4-methoxy-3-phenyl-2-(trifluoromethyl)phenyl]methanol
CID 91500100
1-(2-methoxyphenyl)-3,4-diphenylisoquinoline
CID 102102468
1-(2-methoxy-5,6,7,8-tetraphenylnaphthalen-1-yl)isoquinoline
CID 122217303
2-methoxy-1-[2-(2-methoxynaphthalen-1-yl)-3,4,5,6-tetraphenylphenyl]naphthalene
CID 11017918
3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-4-phenylisoquinoline
CID 11418585
4,7,8-trimethoxy-2-phenylquinoline
CID 20743676
[6-chloro-4-phenyl-2-(2,2,2-trifluoroethyl)quinolin-3-yl] hydrogen carbonate
CID 122684421
2,4-dimethoxy-3-phenylaniline
CID 165495221
4-methoxy-2-phenyl-3-pyridin-4-ylquinoline
CID 139651635

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-3,4-diphenyl-1-(2,2,2-trifluoroethyl)isoquinoline?
The IUPAC name of 5,6-dimethoxy-3,4-diphenyl-1-(2,2,2-trifluoroethyl)isoquinoline (CID 138975292) is 5,6-dimethoxy-3,4-diphenyl-1-(2,2,2-trifluoroethyl)isoquinoline.
What is the SMILES notation for 5,6-dimethoxy-3,4-diphenyl-1-(2,2,2-trifluoroethyl)isoquinoline?
The canonical SMILES for 5,6-dimethoxy-3,4-diphenyl-1-(2,2,2-trifluoroethyl)isoquinoline is COc1ccc2c(CC(F)(F)F)nc(-c3ccccc3)c(-c3ccccc3)c2c1OC.
What is the InChIKey of 5,6-dimethoxy-3,4-diphenyl-1-(2,2,2-trifluoroethyl)isoquinoline?
The InChIKey is BOQCDRGTHHGMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3NO2/c1-30-20-14-13-18-19(15-25(26,27)28)29-23(17-11-7-4-8-12-17)21(22(18)24(20)31-2)16-9-5-3-6-10-16/h3-14H,15H2,1-2H3.
What are the key properties of 5,6-dimethoxy-3,4-diphenyl-1-(2,2,2-trifluoroethyl)isoquinoline?
5,6-dimethoxy-3,4-diphenyl-1-(2,2,2-trifluoroethyl)isoquinoline has a molecular weight of 423.43 g/mol, XLogP of 6.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-3,4-diphenyl-1-(2,2,2-trifluoroethyl)isoquinoline is sourced from PubChem (CID 138975292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).