4-(4-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)isoquinoline

C23H16F3NO — CID 102433056

IUPAC4-(4-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)isoquinoline
SMILESCOc1ccc(-c2c(-c3ccccc3)ncc3cc(C(F)(F)F)ccc23)cc1
InChIInChI=1S/C23H16F3NO/c1-28-19-10-7-15(8-11-19)21-20-12-9-18(23(24,25)26)13-17(20)14-27-22(21)16-5-3-2-4-6-16/h2-14H,1H3
InChIKeyGHINRYXUWNCRBV-UHFFFAOYSA-N
MW379.38 g/mol
LogP6.60
Rot. Bonds3

About 4-(4-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)isoquinoline

4-(4-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)isoquinoline (PubChem CID 102433056) has the molecular formula C23H16F3NO and a molecular weight of 379.38 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)isoquinoline.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)isoquinoline
PubChem CID102433056
Molecular FormulaC23H16F3NO
Molecular Weight379.38 g/mol
Exact Mass379.12
IUPAC Name4-(4-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)isoquinoline
SMILESCOc1ccc(-c2c(-c3ccccc3)ncc3cc(C(F)(F)F)ccc23)cc1
InChIInChI=1S/C23H16F3NO/c1-28-19-10-7-15(8-11-19)21-20-12-9-18(23(24,25)26)13-17(20)14-27-22(21)16-5-3-2-4-6-16/h2-14H,1H3
InChIKeyGHINRYXUWNCRBV-UHFFFAOYSA-N
XLogP6.60
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.38
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)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

Papaverine
CID 4680
4-(6-Methoxynaphthalen-2-yl)isoquinoline
CID 24754344
3-(6-Methoxynaphthalen-2-yl)-4-methylpyridine
CID 25034430
3-(6-Methoxynaphthalen-2-yl)pyridine
CID 11506923
3-(6-Ethoxynaphthalen-2-yl)pyridine
CID 11557864
4-[3-(3-Benzyl-8-trifluoromethyl-quinolin-4-yl)-phenoxy]-phenol
CID 16718799
Biarylether alcohol quinoline, 5b
CID 16727104
Biarylether alcohol quinoline, 5f
CID 16727105
3-Methoxy-5-(6-methoxynaphthalen-2-yl)pyridine
CID 24827305
6-(3-Fluoro-4-methoxyphenyl)-1-(pyridin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 25033731
3-(6-Methoxynaphthalen-2-yl)pyridin-4-amine
CID 25034431
Biarylether alcohol quinoline, 5a
CID 44472981

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)isoquinoline?
The IUPAC name of 4-(4-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)isoquinoline (CID 102433056) is 4-(4-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)isoquinoline.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)isoquinoline?
The canonical SMILES for 4-(4-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)isoquinoline is COc1ccc(-c2c(-c3ccccc3)ncc3cc(C(F)(F)F)ccc23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)isoquinoline?
The InChIKey is GHINRYXUWNCRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3NO/c1-28-19-10-7-15(8-11-19)21-20-12-9-18(23(24,25)26)13-17(20)14-27-22(21)16-5-3-2-4-6-16/h2-14H,1H3.
What are the key properties of 4-(4-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)isoquinoline?
4-(4-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)isoquinoline has a molecular weight of 379.38 g/mol, XLogP of 6.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)isoquinoline is sourced from PubChem (CID 102433056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).