N-[4-(4-methylpiperazin-1-yl)phenyl]acridin-9-amine

C24H24N4 — CID 540335

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]acridin-9-amine
SMILESCN1CCN(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)CC1
InChIInChI=1S/C24H24N4/c1-27-14-16-28(17-15-27)19-12-10-18(11-13-19)25-24-20-6-2-4-8-22(20)26-23-9-5-3-7-21(23)24/h2-13H,14-17H2,1H3,(H,25,26)
InChIKeyQZKGUNQLVFEEBA-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.88
Rot. Bonds3

About N-[4-(4-methylpiperazin-1-yl)phenyl]acridin-9-amine

N-[4-(4-methylpiperazin-1-yl)phenyl]acridin-9-amine (PubChem CID 540335) has the molecular formula C24H24N4 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]acridin-9-amine.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]acridin-9-amine
PubChem CID540335
Molecular FormulaC24H24N4
Molecular Weight368.48 g/mol
Exact Mass368.20
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]acridin-9-amine
SMILESCN1CCN(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)CC1
InChIInChI=1S/C24H24N4/c1-27-14-16-28(17-15-27)19-12-10-18(11-13-19)25-24-20-6-2-4-8-22(20)26-23-9-5-3-7-21(23)24/h2-13H,14-17H2,1H3,(H,25,26)
InChIKeyQZKGUNQLVFEEBA-UHFFFAOYSA-N
XLogP4.88
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

Tacrine
CID 1935
Dequalinium Chloride
CID 10649
Ethidium Bromide
CID 14710
Acridine Orange Base
CID 62344
Acriflavine
CID 443101
Dequalinium
CID 2993
9-Aminoacridine
CID 7019
3,6-Diamino-10-methylacridinium Chloride
CID 6842
9-Aminoacridine hydrochloride
CID 8643
Nitracrine
CID 20628
Propidium Iodide
CID 104981
Neutral Red
CID 11105

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]acridin-9-amine?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]acridin-9-amine (CID 540335) is N-[4-(4-methylpiperazin-1-yl)phenyl]acridin-9-amine.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]acridin-9-amine?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]acridin-9-amine is CN1CCN(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]acridin-9-amine?
The InChIKey is QZKGUNQLVFEEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4/c1-27-14-16-28(17-15-27)19-12-10-18(11-13-19)25-24-20-6-2-4-8-22(20)26-23-9-5-3-7-21(23)24/h2-13H,14-17H2,1H3,(H,25,26).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]acridin-9-amine?
N-[4-(4-methylpiperazin-1-yl)phenyl]acridin-9-amine has a molecular weight of 368.48 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]acridin-9-amine is sourced from PubChem (CID 540335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).