3,6-bis[2-(4-methylpiperazin-1-yl)ethoxy]acridine

C27H37N5O2 — CID 20553456

IUPAC3,6-bis[2-(4-methylpiperazin-1-yl)ethoxy]acridine
SMILESCN1CCN(CCOc2ccc3cc4ccc(OCCN5CCN(C)CC5)cc4nc3c2)CC1
InChIInChI=1S/C27H37N5O2/c1-29-7-11-31(12-8-29)15-17-33-24-5-3-22-19-23-4-6-25(21-27(23)28-26(22)20-24)34-18-16-32-13-9-30(2)10-14-32/h3-6,19-21H,7-18H2,1-2H3
InChIKeyLINZZKOLAFNURT-UHFFFAOYSA-N
MW463.63 g/mol
LogP2.64
Rot. Bonds8

About 3,6-bis[2-(4-methylpiperazin-1-yl)ethoxy]acridine

3,6-bis[2-(4-methylpiperazin-1-yl)ethoxy]acridine (PubChem CID 20553456) has the molecular formula C27H37N5O2 and a molecular weight of 463.63 g/mol. Its IUPAC name is 3,6-bis[2-(4-methylpiperazin-1-yl)ethoxy]acridine.

Molecular Properties

Compound Name3,6-bis[2-(4-methylpiperazin-1-yl)ethoxy]acridine
PubChem CID20553456
Molecular FormulaC27H37N5O2
Molecular Weight463.63 g/mol
Exact Mass463.29
IUPAC Name3,6-bis[2-(4-methylpiperazin-1-yl)ethoxy]acridine
SMILESCN1CCN(CCOc2ccc3cc4ccc(OCCN5CCN(C)CC5)cc4nc3c2)CC1
InChIInChI=1S/C27H37N5O2/c1-29-7-11-31(12-8-29)15-17-33-24-5-3-22-19-23-4-6-25(21-27(23)28-26(22)20-24)34-18-16-32-13-9-30(2)10-14-32/h3-6,19-21H,7-18H2,1-2H3
InChIKeyLINZZKOLAFNURT-UHFFFAOYSA-N
XLogP2.64
TPSA44.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.63
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis[2-(4-methylpiperazin-1-yl)ethoxy]acridine?
The IUPAC name of 3,6-bis[2-(4-methylpiperazin-1-yl)ethoxy]acridine (CID 20553456) is 3,6-bis[2-(4-methylpiperazin-1-yl)ethoxy]acridine.
What is the SMILES notation for 3,6-bis[2-(4-methylpiperazin-1-yl)ethoxy]acridine?
The canonical SMILES for 3,6-bis[2-(4-methylpiperazin-1-yl)ethoxy]acridine is CN1CCN(CCOc2ccc3cc4ccc(OCCN5CCN(C)CC5)cc4nc3c2)CC1.
What is the InChIKey of 3,6-bis[2-(4-methylpiperazin-1-yl)ethoxy]acridine?
The InChIKey is LINZZKOLAFNURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O2/c1-29-7-11-31(12-8-29)15-17-33-24-5-3-22-19-23-4-6-25(21-27(23)28-26(22)20-24)34-18-16-32-13-9-30(2)10-14-32/h3-6,19-21H,7-18H2,1-2H3.
What are the key properties of 3,6-bis[2-(4-methylpiperazin-1-yl)ethoxy]acridine?
3,6-bis[2-(4-methylpiperazin-1-yl)ethoxy]acridine has a molecular weight of 463.63 g/mol, XLogP of 2.64, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[2-(4-methylpiperazin-1-yl)ethoxy]acridine is sourced from PubChem (CID 20553456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).