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

C23H25ClFN3 — CID 72703268

IUPAC7-chloro-N-(4-fluorophenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine
SMILESFc1ccc(/N=c2\ccn(CCCN3CCCCC3)c3cc(Cl)ccc23)cc1
InChIInChI=1S/C23H25ClFN3/c24-18-5-10-21-22(26-20-8-6-19(25)7-9-20)11-16-28(23(21)17-18)15-4-14-27-12-2-1-3-13-27/h5-11,16-17H,1-4,12-15H2/b26-22+
InChIKeyXWCPZJBYJXGFDK-XTCLZLMSSA-N
MW397.93 g/mol
LogP5.54
Rot. Bonds5

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

7-chloro-N-(4-fluorophenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine (PubChem CID 72703268) has the molecular formula C23H25ClFN3 and a molecular weight of 397.93 g/mol. Its IUPAC name is 7-chloro-N-(4-fluorophenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine.

Molecular Properties

Compound Name7-chloro-N-(4-fluorophenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine
PubChem CID72703268
Molecular FormulaC23H25ClFN3
Molecular Weight397.93 g/mol
Exact Mass397.17
IUPAC Name7-chloro-N-(4-fluorophenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine
SMILESFc1ccc(/N=c2\ccn(CCCN3CCCCC3)c3cc(Cl)ccc23)cc1
InChIInChI=1S/C23H25ClFN3/c24-18-5-10-21-22(26-20-8-6-19(25)7-9-20)11-16-28(23(21)17-18)15-4-14-27-12-2-1-3-13-27/h5-11,16-17H,1-4,12-15H2/b26-22+
InChIKeyXWCPZJBYJXGFDK-XTCLZLMSSA-N
XLogP5.54
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.93
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-chloro-N-(4-fluorophenyl)-1-(3-piperidin-1-ylpropyl)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

Related Compounds

[1-Benzyl-7-chloro-1H-quinolin-(4E)-ylidene]-hexyl-amine
CID 10338126
Butyl-[7-chloro-1-(3-phenyl-propyl)-1H-quinolin-(4E)-ylidene]-amine
CID 10247467
[7-Chloro-1-(3,4-dichloro-benzyl)-1H-quinolin-(4E)-ylidene]-hexyl-amine
CID 23276937
[1-Benzyl-7-chloro-1H-quinolin-(4E)-ylidene]-propyl-amine
CID 9796735
1-benzyl-7-chloro-N-propylquinolin-4-imine;hydrochloride
CID 9884639
2-[[7-chloro-1-[(2-chlorophenyl)methyl]quinolin-4-ylidene]amino]-N,N-diethylethanamine
CID 44298555
[1-Benzyl-7-chloro-1H-quinolin-(4E)-ylidene]-isobutyl-amine
CID 44298601
[7-Chloro-1-(4-chloro-benzyl)-1H-quinolin-(4E)-ylidene]-hexyl-amine
CID 44298968
[1-Benzyl-7-chloro-1H-quinolin-(4E)-ylidene]-pentyl-amine
CID 9974422
[1-(4-Chloro-benzyl)-6-trifluoromethyl-1H-quinolin-(4E)-ylidene]-pentyl-amine
CID 10250802
[1-(4-Chloro-benzyl)-8-fluoro-1H-quinolin-(4E)-ylidene]-pentyl-amine
CID 10428385
[1-(4-Chloro-benzyl)-7-trifluoromethyl-1H-quinolin-(4E)-ylidene]-pentyl-amine
CID 10431492

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(4-fluorophenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine?
The IUPAC name of 7-chloro-N-(4-fluorophenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine (CID 72703268) is 7-chloro-N-(4-fluorophenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine.
What is the SMILES notation for 7-chloro-N-(4-fluorophenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine?
The canonical SMILES for 7-chloro-N-(4-fluorophenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine is Fc1ccc(/N=c2\ccn(CCCN3CCCCC3)c3cc(Cl)ccc23)cc1.
What is the InChIKey of 7-chloro-N-(4-fluorophenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine?
The InChIKey is XWCPZJBYJXGFDK-XTCLZLMSSA-N. The full InChI is InChI=1S/C23H25ClFN3/c24-18-5-10-21-22(26-20-8-6-19(25)7-9-20)11-16-28(23(21)17-18)15-4-14-27-12-2-1-3-13-27/h5-11,16-17H,1-4,12-15H2/b26-22+.
What are the key properties of 7-chloro-N-(4-fluorophenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine?
7-chloro-N-(4-fluorophenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine has a molecular weight of 397.93 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(4-fluorophenyl)-1-(3-piperidin-1-ylpropyl)quinolin-4-imine is sourced from PubChem (CID 72703268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).