N-(4-phenylphenyl)-1-(2-pyrrolidin-1-ylethyl)-7-(trifluoromethyl)quinolin-4-imine

C28H26F3N3 — CID 72703271

IUPACN-(4-phenylphenyl)-1-(2-pyrrolidin-1-ylethyl)-7-(trifluoromethyl)quinolin-4-imine
SMILESFC(F)(F)c1ccc2/c(=N/c3ccc(-c4ccccc4)cc3)ccn(CCN3CCCC3)c2c1
InChIInChI=1S/C28H26F3N3/c29-28(30,31)23-10-13-25-26(14-17-34(27(25)20-23)19-18-33-15-4-5-16-33)32-24-11-8-22(9-12-24)21-6-2-1-3-7-21/h1-3,6-14,17,20H,4-5,15-16,18-19H2/b32-26+
InChIKeyMMNCTAZBLQWYGN-HMZBKAONSA-N
MW461.53 g/mol
LogP6.66
Rot. Bonds5

About N-(4-phenylphenyl)-1-(2-pyrrolidin-1-ylethyl)-7-(trifluoromethyl)quinolin-4-imine

N-(4-phenylphenyl)-1-(2-pyrrolidin-1-ylethyl)-7-(trifluoromethyl)quinolin-4-imine (PubChem CID 72703271) has the molecular formula C28H26F3N3 and a molecular weight of 461.53 g/mol. Its IUPAC name is N-(4-phenylphenyl)-1-(2-pyrrolidin-1-ylethyl)-7-(trifluoromethyl)quinolin-4-imine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-1-(2-pyrrolidin-1-ylethyl)-7-(trifluoromethyl)quinolin-4-imine
PubChem CID72703271
Molecular FormulaC28H26F3N3
Molecular Weight461.53 g/mol
Exact Mass461.21
IUPAC NameN-(4-phenylphenyl)-1-(2-pyrrolidin-1-ylethyl)-7-(trifluoromethyl)quinolin-4-imine
SMILESFC(F)(F)c1ccc2/c(=N/c3ccc(-c4ccccc4)cc3)ccn(CCN3CCCC3)c2c1
InChIInChI=1S/C28H26F3N3/c29-28(30,31)23-10-13-25-26(14-17-34(27(25)20-23)19-18-33-15-4-5-16-33)32-24-11-8-22(9-12-24)21-6-2-1-3-7-21/h1-3,6-14,17,20H,4-5,15-16,18-19H2/b32-26+
InChIKeyMMNCTAZBLQWYGN-HMZBKAONSA-N
XLogP6.66
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.53
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-phenylphenyl)-1-(2-pyrrolidin-1-ylethyl)-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 N-(4-phenylphenyl)-1-(2-pyrrolidin-1-ylethyl)-7-(trifluoromethyl)quinolin-4-imine?
The IUPAC name of N-(4-phenylphenyl)-1-(2-pyrrolidin-1-ylethyl)-7-(trifluoromethyl)quinolin-4-imine (CID 72703271) is N-(4-phenylphenyl)-1-(2-pyrrolidin-1-ylethyl)-7-(trifluoromethyl)quinolin-4-imine.
What is the SMILES notation for N-(4-phenylphenyl)-1-(2-pyrrolidin-1-ylethyl)-7-(trifluoromethyl)quinolin-4-imine?
The canonical SMILES for N-(4-phenylphenyl)-1-(2-pyrrolidin-1-ylethyl)-7-(trifluoromethyl)quinolin-4-imine is FC(F)(F)c1ccc2/c(=N/c3ccc(-c4ccccc4)cc3)ccn(CCN3CCCC3)c2c1.
What is the InChIKey of N-(4-phenylphenyl)-1-(2-pyrrolidin-1-ylethyl)-7-(trifluoromethyl)quinolin-4-imine?
The InChIKey is MMNCTAZBLQWYGN-HMZBKAONSA-N. The full InChI is InChI=1S/C28H26F3N3/c29-28(30,31)23-10-13-25-26(14-17-34(27(25)20-23)19-18-33-15-4-5-16-33)32-24-11-8-22(9-12-24)21-6-2-1-3-7-21/h1-3,6-14,17,20H,4-5,15-16,18-19H2/b32-26+.
What are the key properties of N-(4-phenylphenyl)-1-(2-pyrrolidin-1-ylethyl)-7-(trifluoromethyl)quinolin-4-imine?
N-(4-phenylphenyl)-1-(2-pyrrolidin-1-ylethyl)-7-(trifluoromethyl)quinolin-4-imine has a molecular weight of 461.53 g/mol, XLogP of 6.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-1-(2-pyrrolidin-1-ylethyl)-7-(trifluoromethyl)quinolin-4-imine is sourced from PubChem (CID 72703271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).