1-[6-(4-quinolin-8-ylpiperazin-1-yl)hexyl]benzo[cd]indol-2-one

C30H32N4O — CID 155526651

IUPAC1-[6-(4-quinolin-8-ylpiperazin-1-yl)hexyl]benzo[cd]indol-2-one
SMILESO=C1c2cccc3cccc(c23)N1CCCCCCN1CCN(c2cccc3cccnc23)CC1
InChIInChI=1S/C30H32N4O/c35-30-25-13-5-9-23-10-6-14-26(28(23)25)34(30)18-4-2-1-3-17-32-19-21-33(22-20-32)27-15-7-11-24-12-8-16-31-29(24)27/h5-16H,1-4,17-22H2
InChIKeyUANZODATMICVSM-UHFFFAOYSA-N
MW464.61 g/mol
LogP5.73
Rot. Bonds8

About 1-[6-(4-quinolin-8-ylpiperazin-1-yl)hexyl]benzo[cd]indol-2-one

1-[6-(4-quinolin-8-ylpiperazin-1-yl)hexyl]benzo[cd]indol-2-one (PubChem CID 155526651) has the molecular formula C30H32N4O and a molecular weight of 464.61 g/mol. Its IUPAC name is 1-[6-(4-quinolin-8-ylpiperazin-1-yl)hexyl]benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-[6-(4-quinolin-8-ylpiperazin-1-yl)hexyl]benzo[cd]indol-2-one
PubChem CID155526651
Molecular FormulaC30H32N4O
Molecular Weight464.61 g/mol
Exact Mass464.26
IUPAC Name1-[6-(4-quinolin-8-ylpiperazin-1-yl)hexyl]benzo[cd]indol-2-one
SMILESO=C1c2cccc3cccc(c23)N1CCCCCCN1CCN(c2cccc3cccnc23)CC1
InChIInChI=1S/C30H32N4O/c35-30-25-13-5-9-23-10-6-14-26(28(23)25)34(30)18-4-2-1-3-17-32-19-21-33(22-20-32)27-15-7-11-24-12-8-16-31-29(24)27/h5-16H,1-4,17-22H2
InChIKeyUANZODATMICVSM-UHFFFAOYSA-N
XLogP5.73
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 55.73
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 1-[6-(4-quinolin-8-ylpiperazin-1-yl)hexyl]benzo[cd]indol-2-one?
The IUPAC name of 1-[6-(4-quinolin-8-ylpiperazin-1-yl)hexyl]benzo[cd]indol-2-one (CID 155526651) is 1-[6-(4-quinolin-8-ylpiperazin-1-yl)hexyl]benzo[cd]indol-2-one.
What is the SMILES notation for 1-[6-(4-quinolin-8-ylpiperazin-1-yl)hexyl]benzo[cd]indol-2-one?
The canonical SMILES for 1-[6-(4-quinolin-8-ylpiperazin-1-yl)hexyl]benzo[cd]indol-2-one is O=C1c2cccc3cccc(c23)N1CCCCCCN1CCN(c2cccc3cccnc23)CC1.
What is the InChIKey of 1-[6-(4-quinolin-8-ylpiperazin-1-yl)hexyl]benzo[cd]indol-2-one?
The InChIKey is UANZODATMICVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O/c35-30-25-13-5-9-23-10-6-14-26(28(23)25)34(30)18-4-2-1-3-17-32-19-21-33(22-20-32)27-15-7-11-24-12-8-16-31-29(24)27/h5-16H,1-4,17-22H2.
What are the key properties of 1-[6-(4-quinolin-8-ylpiperazin-1-yl)hexyl]benzo[cd]indol-2-one?
1-[6-(4-quinolin-8-ylpiperazin-1-yl)hexyl]benzo[cd]indol-2-one has a molecular weight of 464.61 g/mol, XLogP of 5.73, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-quinolin-8-ylpiperazin-1-yl)hexyl]benzo[cd]indol-2-one is sourced from PubChem (CID 155526651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).