1-(3-bromo-9H-acridin-10-yl)-N-[(4-methylpiperazin-1-yl)methyl]ethanimine

C21H25BrN4 — CID 70899386

IUPAC1-(3-bromo-9H-acridin-10-yl)-N-[(4-methylpiperazin-1-yl)methyl]ethanimine
SMILESCC(=NCN1CCN(C)CC1)N1c2ccccc2Cc2ccc(Br)cc21
InChIInChI=1S/C21H25BrN4/c1-16(23-15-25-11-9-24(2)10-12-25)26-20-6-4-3-5-17(20)13-18-7-8-19(22)14-21(18)26/h3-8,14H,9-13,15H2,1-2H3
InChIKeyIRZLNZGEUIZQBL-UHFFFAOYSA-N
MW413.36 g/mol
LogP4.11
Rot. Bonds2

About 1-(3-bromo-9H-acridin-10-yl)-N-[(4-methylpiperazin-1-yl)methyl]ethanimine

1-(3-bromo-9H-acridin-10-yl)-N-[(4-methylpiperazin-1-yl)methyl]ethanimine (PubChem CID 70899386) has the molecular formula C21H25BrN4 and a molecular weight of 413.36 g/mol. Its IUPAC name is 1-(3-bromo-9H-acridin-10-yl)-N-[(4-methylpiperazin-1-yl)methyl]ethanimine.

Molecular Properties

Compound Name1-(3-bromo-9H-acridin-10-yl)-N-[(4-methylpiperazin-1-yl)methyl]ethanimine
PubChem CID70899386
Molecular FormulaC21H25BrN4
Molecular Weight413.36 g/mol
Exact Mass412.13
IUPAC Name1-(3-bromo-9H-acridin-10-yl)-N-[(4-methylpiperazin-1-yl)methyl]ethanimine
SMILESCC(=NCN1CCN(C)CC1)N1c2ccccc2Cc2ccc(Br)cc21
InChIInChI=1S/C21H25BrN4/c1-16(23-15-25-11-9-24(2)10-12-25)26-20-6-4-3-5-17(20)13-18-7-8-19(22)14-21(18)26/h3-8,14H,9-13,15H2,1-2H3
InChIKeyIRZLNZGEUIZQBL-UHFFFAOYSA-N
XLogP4.11
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.36
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-9H-acridin-10-yl)-N-[(4-methylpiperazin-1-yl)methyl]ethanimine?
The IUPAC name of 1-(3-bromo-9H-acridin-10-yl)-N-[(4-methylpiperazin-1-yl)methyl]ethanimine (CID 70899386) is 1-(3-bromo-9H-acridin-10-yl)-N-[(4-methylpiperazin-1-yl)methyl]ethanimine.
What is the SMILES notation for 1-(3-bromo-9H-acridin-10-yl)-N-[(4-methylpiperazin-1-yl)methyl]ethanimine?
The canonical SMILES for 1-(3-bromo-9H-acridin-10-yl)-N-[(4-methylpiperazin-1-yl)methyl]ethanimine is CC(=NCN1CCN(C)CC1)N1c2ccccc2Cc2ccc(Br)cc21.
What is the InChIKey of 1-(3-bromo-9H-acridin-10-yl)-N-[(4-methylpiperazin-1-yl)methyl]ethanimine?
The InChIKey is IRZLNZGEUIZQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN4/c1-16(23-15-25-11-9-24(2)10-12-25)26-20-6-4-3-5-17(20)13-18-7-8-19(22)14-21(18)26/h3-8,14H,9-13,15H2,1-2H3.
What are the key properties of 1-(3-bromo-9H-acridin-10-yl)-N-[(4-methylpiperazin-1-yl)methyl]ethanimine?
1-(3-bromo-9H-acridin-10-yl)-N-[(4-methylpiperazin-1-yl)methyl]ethanimine has a molecular weight of 413.36 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-9H-acridin-10-yl)-N-[(4-methylpiperazin-1-yl)methyl]ethanimine is sourced from PubChem (CID 70899386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).