1-ethyl-N-(4-phenylphenyl)-7-(trifluoromethyl)quinolin-4-imine

C24H19F3N2 — CID 71682957

IUPAC1-ethyl-N-(4-phenylphenyl)-7-(trifluoromethyl)quinolin-4-imine
SMILESCCn1cc/c(=N\c2ccc(-c3ccccc3)cc2)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C24H19F3N2/c1-2-29-15-14-22(21-13-10-19(16-23(21)29)24(25,26)27)28-20-11-8-18(9-12-20)17-6-4-3-5-7-17/h3-16H,2H2,1H3/b28-22+
InChIKeyCONZDGPSNYNAEY-XAYXJRQQSA-N
MW392.42 g/mol
LogP6.58
Rot. Bonds3

About 1-ethyl-N-(4-phenylphenyl)-7-(trifluoromethyl)quinolin-4-imine

1-ethyl-N-(4-phenylphenyl)-7-(trifluoromethyl)quinolin-4-imine (PubChem CID 71682957) has the molecular formula C24H19F3N2 and a molecular weight of 392.42 g/mol. Its IUPAC name is 1-ethyl-N-(4-phenylphenyl)-7-(trifluoromethyl)quinolin-4-imine.

Molecular Properties

Compound Name1-ethyl-N-(4-phenylphenyl)-7-(trifluoromethyl)quinolin-4-imine
PubChem CID71682957
Molecular FormulaC24H19F3N2
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name1-ethyl-N-(4-phenylphenyl)-7-(trifluoromethyl)quinolin-4-imine
SMILESCCn1cc/c(=N\c2ccc(-c3ccccc3)cc2)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C24H19F3N2/c1-2-29-15-14-22(21-13-10-19(16-23(21)29)24(25,26)27)28-20-11-8-18(9-12-20)17-6-4-3-5-7-17/h3-16H,2H2,1H3/b28-22+
InChIKeyCONZDGPSNYNAEY-XAYXJRQQSA-N
XLogP6.58
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.42
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-N-(4-phenylphenyl)-7-(trifluoromethyl)quinolin-4-imine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-phenylphenyl)-7-(trifluoromethyl)quinolin-4-imine?
The IUPAC name of 1-ethyl-N-(4-phenylphenyl)-7-(trifluoromethyl)quinolin-4-imine (CID 71682957) is 1-ethyl-N-(4-phenylphenyl)-7-(trifluoromethyl)quinolin-4-imine.
What is the SMILES notation for 1-ethyl-N-(4-phenylphenyl)-7-(trifluoromethyl)quinolin-4-imine?
The canonical SMILES for 1-ethyl-N-(4-phenylphenyl)-7-(trifluoromethyl)quinolin-4-imine is CCn1cc/c(=N\c2ccc(-c3ccccc3)cc2)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of 1-ethyl-N-(4-phenylphenyl)-7-(trifluoromethyl)quinolin-4-imine?
The InChIKey is CONZDGPSNYNAEY-XAYXJRQQSA-N. The full InChI is InChI=1S/C24H19F3N2/c1-2-29-15-14-22(21-13-10-19(16-23(21)29)24(25,26)27)28-20-11-8-18(9-12-20)17-6-4-3-5-7-17/h3-16H,2H2,1H3/b28-22+.
What are the key properties of 1-ethyl-N-(4-phenylphenyl)-7-(trifluoromethyl)quinolin-4-imine?
1-ethyl-N-(4-phenylphenyl)-7-(trifluoromethyl)quinolin-4-imine has a molecular weight of 392.42 g/mol, XLogP of 6.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-phenylphenyl)-7-(trifluoromethyl)quinolin-4-imine is sourced from PubChem (CID 71682957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).