7-(4-fluorophenyl)-N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine

C35H34FN3 — CID 72703486

IUPAC7-(4-fluorophenyl)-N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine
SMILESFc1ccc(-c2ccc3/c(=N/c4ccc(-c5ccccc5)cc4)ccn(CCCN4CCCCC4)c3c2)cc1
InChIInChI=1S/C35H34FN3/c36-31-15-10-29(11-16-31)30-14-19-33-34(37-32-17-12-28(13-18-32)27-8-3-1-4-9-27)20-25-39(35(33)26-30)24-7-23-38-21-5-2-6-22-38/h1,3-4,8-20,25-26H,2,5-7,21-24H2/b37-34+
InChIKeyZEMNGCUCGIEULF-NFSLGCCLSA-N
MW515.68 g/mol
LogP8.22
Rot. Bonds7

About 7-(4-fluorophenyl)-N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine

7-(4-fluorophenyl)-N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine (PubChem CID 72703486) has the molecular formula C35H34FN3 and a molecular weight of 515.68 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine
PubChem CID72703486
Molecular FormulaC35H34FN3
Molecular Weight515.68 g/mol
Exact Mass515.27
IUPAC Name7-(4-fluorophenyl)-N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine
SMILESFc1ccc(-c2ccc3/c(=N/c4ccc(-c5ccccc5)cc4)ccn(CCCN4CCCCC4)c3c2)cc1
InChIInChI=1S/C35H34FN3/c36-31-15-10-29(11-16-31)30-14-19-33-34(37-32-17-12-28(13-18-32)27-8-3-1-4-9-27)20-25-39(35(33)26-30)24-7-23-38-21-5-2-6-22-38/h1,3-4,8-20,25-26H,2,5-7,21-24H2/b37-34+
InChIKeyZEMNGCUCGIEULF-NFSLGCCLSA-N
XLogP8.22
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.68
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine?
The IUPAC name of 7-(4-fluorophenyl)-N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine (CID 72703486) is 7-(4-fluorophenyl)-N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine.
What is the SMILES notation for 7-(4-fluorophenyl)-N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine?
The canonical SMILES for 7-(4-fluorophenyl)-N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine is Fc1ccc(-c2ccc3/c(=N/c4ccc(-c5ccccc5)cc4)ccn(CCCN4CCCCC4)c3c2)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine?
The InChIKey is ZEMNGCUCGIEULF-NFSLGCCLSA-N. The full InChI is InChI=1S/C35H34FN3/c36-31-15-10-29(11-16-31)30-14-19-33-34(37-32-17-12-28(13-18-32)27-8-3-1-4-9-27)20-25-39(35(33)26-30)24-7-23-38-21-5-2-6-22-38/h1,3-4,8-20,25-26H,2,5-7,21-24H2/b37-34+.
What are the key properties of 7-(4-fluorophenyl)-N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine?
7-(4-fluorophenyl)-N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine has a molecular weight of 515.68 g/mol, XLogP of 8.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine is sourced from PubChem (CID 72703486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).