6-chloro-4-phenyl-2-(4-phenylpiperazin-1-yl)quinoline

C25H22ClN3 — CID 3619803

IUPAC6-chloro-4-phenyl-2-(4-phenylpiperazin-1-yl)quinoline
SMILESClc1ccc2nc(N3CCN(c4ccccc4)CC3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C25H22ClN3/c26-20-11-12-24-23(17-20)22(19-7-3-1-4-8-19)18-25(27-24)29-15-13-28(14-16-29)21-9-5-2-6-10-21/h1-12,17-18H,13-16H2
InChIKeyZPXUXYIRQHODJU-UHFFFAOYSA-N
MW399.93 g/mol
LogP5.88
Rot. Bonds3

About 6-chloro-4-phenyl-2-(4-phenylpiperazin-1-yl)quinoline

6-chloro-4-phenyl-2-(4-phenylpiperazin-1-yl)quinoline (PubChem CID 3619803) has the molecular formula C25H22ClN3 and a molecular weight of 399.93 g/mol. Its IUPAC name is 6-chloro-4-phenyl-2-(4-phenylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name6-chloro-4-phenyl-2-(4-phenylpiperazin-1-yl)quinoline
PubChem CID3619803
Molecular FormulaC25H22ClN3
Molecular Weight399.93 g/mol
Exact Mass399.15
IUPAC Name6-chloro-4-phenyl-2-(4-phenylpiperazin-1-yl)quinoline
SMILESClc1ccc2nc(N3CCN(c4ccccc4)CC3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C25H22ClN3/c26-20-11-12-24-23(17-20)22(19-7-3-1-4-8-19)18-25(27-24)29-15-13-28(14-16-29)21-9-5-2-6-10-21/h1-12,17-18H,13-16H2
InChIKeyZPXUXYIRQHODJU-UHFFFAOYSA-N
XLogP5.88
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.93
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-phenyl-2-(4-phenylpiperazin-1-yl)quinoline?
The IUPAC name of 6-chloro-4-phenyl-2-(4-phenylpiperazin-1-yl)quinoline (CID 3619803) is 6-chloro-4-phenyl-2-(4-phenylpiperazin-1-yl)quinoline.
What is the SMILES notation for 6-chloro-4-phenyl-2-(4-phenylpiperazin-1-yl)quinoline?
The canonical SMILES for 6-chloro-4-phenyl-2-(4-phenylpiperazin-1-yl)quinoline is Clc1ccc2nc(N3CCN(c4ccccc4)CC3)cc(-c3ccccc3)c2c1.
What is the InChIKey of 6-chloro-4-phenyl-2-(4-phenylpiperazin-1-yl)quinoline?
The InChIKey is ZPXUXYIRQHODJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3/c26-20-11-12-24-23(17-20)22(19-7-3-1-4-8-19)18-25(27-24)29-15-13-28(14-16-29)21-9-5-2-6-10-21/h1-12,17-18H,13-16H2.
What are the key properties of 6-chloro-4-phenyl-2-(4-phenylpiperazin-1-yl)quinoline?
6-chloro-4-phenyl-2-(4-phenylpiperazin-1-yl)quinoline has a molecular weight of 399.93 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-phenyl-2-(4-phenylpiperazin-1-yl)quinoline is sourced from PubChem (CID 3619803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).