4-[4-[6-[4-(3-methylphenyl)piperazin-1-yl]hexyl]piperazin-1-yl]quinoline

C30H41N5 — CID 11670029

IUPAC4-[4-[6-[4-(3-methylphenyl)piperazin-1-yl]hexyl]piperazin-1-yl]quinoline
SMILESCc1cccc(N2CCN(CCCCCCN3CCN(c4ccnc5ccccc45)CC3)CC2)c1
InChIInChI=1S/C30H41N5/c1-26-9-8-10-27(25-26)34-21-17-32(18-22-34)15-6-2-3-7-16-33-19-23-35(24-20-33)30-13-14-31-29-12-5-4-11-28(29)30/h4-5,8-14,25H,2-3,6-7,15-24H2,1H3
InChIKeyYVYMJYSSXPEYLE-UHFFFAOYSA-N
MW471.69 g/mol
LogP5.05
Rot. Bonds9

About 4-[4-[6-[4-(3-methylphenyl)piperazin-1-yl]hexyl]piperazin-1-yl]quinoline

4-[4-[6-[4-(3-methylphenyl)piperazin-1-yl]hexyl]piperazin-1-yl]quinoline (PubChem CID 11670029) has the molecular formula C30H41N5 and a molecular weight of 471.69 g/mol. Its IUPAC name is 4-[4-[6-[4-(3-methylphenyl)piperazin-1-yl]hexyl]piperazin-1-yl]quinoline.

Molecular Properties

Compound Name4-[4-[6-[4-(3-methylphenyl)piperazin-1-yl]hexyl]piperazin-1-yl]quinoline
PubChem CID11670029
Molecular FormulaC30H41N5
Molecular Weight471.69 g/mol
Exact Mass471.34
IUPAC Name4-[4-[6-[4-(3-methylphenyl)piperazin-1-yl]hexyl]piperazin-1-yl]quinoline
SMILESCc1cccc(N2CCN(CCCCCCN3CCN(c4ccnc5ccccc45)CC3)CC2)c1
InChIInChI=1S/C30H41N5/c1-26-9-8-10-27(25-26)34-21-17-32(18-22-34)15-6-2-3-7-16-33-19-23-35(24-20-33)30-13-14-31-29-12-5-4-11-28(29)30/h4-5,8-14,25H,2-3,6-7,15-24H2,1H3
InChIKeyYVYMJYSSXPEYLE-UHFFFAOYSA-N
XLogP5.05
TPSA25.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.69
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[6-[4-(3-methylphenyl)piperazin-1-yl]hexyl]piperazin-1-yl]quinoline?
The IUPAC name of 4-[4-[6-[4-(3-methylphenyl)piperazin-1-yl]hexyl]piperazin-1-yl]quinoline (CID 11670029) is 4-[4-[6-[4-(3-methylphenyl)piperazin-1-yl]hexyl]piperazin-1-yl]quinoline.
What is the SMILES notation for 4-[4-[6-[4-(3-methylphenyl)piperazin-1-yl]hexyl]piperazin-1-yl]quinoline?
The canonical SMILES for 4-[4-[6-[4-(3-methylphenyl)piperazin-1-yl]hexyl]piperazin-1-yl]quinoline is Cc1cccc(N2CCN(CCCCCCN3CCN(c4ccnc5ccccc45)CC3)CC2)c1.
What is the InChIKey of 4-[4-[6-[4-(3-methylphenyl)piperazin-1-yl]hexyl]piperazin-1-yl]quinoline?
The InChIKey is YVYMJYSSXPEYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N5/c1-26-9-8-10-27(25-26)34-21-17-32(18-22-34)15-6-2-3-7-16-33-19-23-35(24-20-33)30-13-14-31-29-12-5-4-11-28(29)30/h4-5,8-14,25H,2-3,6-7,15-24H2,1H3.
What are the key properties of 4-[4-[6-[4-(3-methylphenyl)piperazin-1-yl]hexyl]piperazin-1-yl]quinoline?
4-[4-[6-[4-(3-methylphenyl)piperazin-1-yl]hexyl]piperazin-1-yl]quinoline has a molecular weight of 471.69 g/mol, XLogP of 5.05, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-[4-(3-methylphenyl)piperazin-1-yl]hexyl]piperazin-1-yl]quinoline is sourced from PubChem (CID 11670029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).