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

C25H26N4 — CID 3072540

IUPACN-[4-(4-ethylpiperazin-1-yl)phenyl]acridin-9-amine
SMILESCCN1CCN(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)CC1
InChIInChI=1S/C25H26N4/c1-2-28-15-17-29(18-16-28)20-13-11-19(12-14-20)26-25-21-7-3-5-9-23(21)27-24-10-6-4-8-22(24)25/h3-14H,2,15-18H2,1H3,(H,26,27)
InChIKeyCUVBGWMAORETGV-UHFFFAOYSA-N
MW382.51 g/mol
LogP5.27
Rot. Bonds4

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

N-[4-(4-ethylpiperazin-1-yl)phenyl]acridin-9-amine (PubChem CID 3072540) has the molecular formula C25H26N4 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)phenyl]acridin-9-amine.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)phenyl]acridin-9-amine
PubChem CID3072540
Molecular FormulaC25H26N4
Molecular Weight382.51 g/mol
Exact Mass382.22
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)phenyl]acridin-9-amine
SMILESCCN1CCN(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)CC1
InChIInChI=1S/C25H26N4/c1-2-28-15-17-29(18-16-28)20-13-11-19(12-14-20)26-25-21-7-3-5-9-23(21)27-24-10-6-4-8-22(24)25/h3-14H,2,15-18H2,1H3,(H,26,27)
InChIKeyCUVBGWMAORETGV-UHFFFAOYSA-N
XLogP5.27
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.27
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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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]acridin-9-amine?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]acridin-9-amine (CID 3072540) is N-[4-(4-ethylpiperazin-1-yl)phenyl]acridin-9-amine.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)phenyl]acridin-9-amine?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)phenyl]acridin-9-amine is CCN1CCN(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)phenyl]acridin-9-amine?
The InChIKey is CUVBGWMAORETGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4/c1-2-28-15-17-29(18-16-28)20-13-11-19(12-14-20)26-25-21-7-3-5-9-23(21)27-24-10-6-4-8-22(24)25/h3-14H,2,15-18H2,1H3,(H,26,27).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)phenyl]acridin-9-amine?
N-[4-(4-ethylpiperazin-1-yl)phenyl]acridin-9-amine has a molecular weight of 382.51 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)phenyl]acridin-9-amine is sourced from PubChem (CID 3072540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).