4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]quinoline

C22H26N4 — CID 19909649

IUPAC4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]quinoline
SMILESc1ccc(N2CCN(CCCCc3ccnc4ccccc34)CC2)nc1
InChIInChI=1S/C22H26N4/c1-2-9-21-20(8-1)19(11-13-23-21)7-4-6-14-25-15-17-26(18-16-25)22-10-3-5-12-24-22/h1-3,5,8-13H,4,6-7,14-18H2
InChIKeyFETNLVBWAUQKOD-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.77
Rot. Bonds6

About 4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]quinoline

4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]quinoline (PubChem CID 19909649) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]quinoline.

Molecular Properties

Compound Name4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]quinoline
PubChem CID19909649
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]quinoline
SMILESc1ccc(N2CCN(CCCCc3ccnc4ccccc34)CC2)nc1
InChIInChI=1S/C22H26N4/c1-2-9-21-20(8-1)19(11-13-23-21)7-4-6-14-25-15-17-26(18-16-25)22-10-3-5-12-24-22/h1-3,5,8-13H,4,6-7,14-18H2
InChIKeyFETNLVBWAUQKOD-UHFFFAOYSA-N
XLogP3.77
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]quinoline?
The IUPAC name of 4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]quinoline (CID 19909649) is 4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]quinoline.
What is the SMILES notation for 4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]quinoline?
The canonical SMILES for 4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]quinoline is c1ccc(N2CCN(CCCCc3ccnc4ccccc34)CC2)nc1.
What is the InChIKey of 4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]quinoline?
The InChIKey is FETNLVBWAUQKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-2-9-21-20(8-1)19(11-13-23-21)7-4-6-14-25-15-17-26(18-16-25)22-10-3-5-12-24-22/h1-3,5,8-13H,4,6-7,14-18H2.
What are the key properties of 4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]quinoline?
4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]quinoline has a molecular weight of 346.48 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]quinoline is sourced from PubChem (CID 19909649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).