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

C23H26ClN3 — CID 72703266

IUPAC7-chloro-N-phenyl-1-(3-piperidin-1-ylpropyl)quinolin-4-imine
SMILESClc1ccc2/c(=N/c3ccccc3)ccn(CCCN3CCCCC3)c2c1
InChIInChI=1S/C23H26ClN3/c24-19-10-11-21-22(25-20-8-3-1-4-9-20)12-17-27(23(21)18-19)16-7-15-26-13-5-2-6-14-26/h1,3-4,8-12,17-18H,2,5-7,13-16H2/b25-22+
InChIKeyPNCSBOUSNDJAEF-YYDJUVGSSA-N
MW379.94 g/mol
LogP5.40
Rot. Bonds5

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

7-chloro-N-phenyl-1-(3-piperidin-1-ylpropyl)quinolin-4-imine (PubChem CID 72703266) has the molecular formula C23H26ClN3 and a molecular weight of 379.94 g/mol. Its IUPAC name is 7-chloro-N-phenyl-1-(3-piperidin-1-ylpropyl)quinolin-4-imine.

Molecular Properties

Compound Name7-chloro-N-phenyl-1-(3-piperidin-1-ylpropyl)quinolin-4-imine
PubChem CID72703266
Molecular FormulaC23H26ClN3
Molecular Weight379.94 g/mol
Exact Mass379.18
IUPAC Name7-chloro-N-phenyl-1-(3-piperidin-1-ylpropyl)quinolin-4-imine
SMILESClc1ccc2/c(=N/c3ccccc3)ccn(CCCN3CCCCC3)c2c1
InChIInChI=1S/C23H26ClN3/c24-19-10-11-21-22(25-20-8-3-1-4-9-20)12-17-27(23(21)18-19)16-7-15-26-13-5-2-6-14-26/h1,3-4,8-12,17-18H,2,5-7,13-16H2/b25-22+
InChIKeyPNCSBOUSNDJAEF-YYDJUVGSSA-N
XLogP5.40
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.94
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-phenyl-1-(3-piperidin-1-ylpropyl)quinolin-4-imine?
The IUPAC name of 7-chloro-N-phenyl-1-(3-piperidin-1-ylpropyl)quinolin-4-imine (CID 72703266) is 7-chloro-N-phenyl-1-(3-piperidin-1-ylpropyl)quinolin-4-imine.
What is the SMILES notation for 7-chloro-N-phenyl-1-(3-piperidin-1-ylpropyl)quinolin-4-imine?
The canonical SMILES for 7-chloro-N-phenyl-1-(3-piperidin-1-ylpropyl)quinolin-4-imine is Clc1ccc2/c(=N/c3ccccc3)ccn(CCCN3CCCCC3)c2c1.
What is the InChIKey of 7-chloro-N-phenyl-1-(3-piperidin-1-ylpropyl)quinolin-4-imine?
The InChIKey is PNCSBOUSNDJAEF-YYDJUVGSSA-N. The full InChI is InChI=1S/C23H26ClN3/c24-19-10-11-21-22(25-20-8-3-1-4-9-20)12-17-27(23(21)18-19)16-7-15-26-13-5-2-6-14-26/h1,3-4,8-12,17-18H,2,5-7,13-16H2/b25-22+.
What are the key properties of 7-chloro-N-phenyl-1-(3-piperidin-1-ylpropyl)quinolin-4-imine?
7-chloro-N-phenyl-1-(3-piperidin-1-ylpropyl)quinolin-4-imine has a molecular weight of 379.94 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-phenyl-1-(3-piperidin-1-ylpropyl)quinolin-4-imine is sourced from PubChem (CID 72703266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).