N-(4-hexoxyphenyl)acridin-9-amine

C25H26N2O — CID 10666866

IUPACN-(4-hexoxyphenyl)acridin-9-amine
SMILESCCCCCCOc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
InChIInChI=1S/C25H26N2O/c1-2-3-4-9-18-28-20-16-14-19(15-17-20)26-25-21-10-5-7-12-23(21)27-24-13-8-6-11-22(24)25/h5-8,10-17H,2-4,9,18H2,1H3,(H,26,27)
InChIKeyRBOVNWIDQKQXDL-UHFFFAOYSA-N
MW370.50 g/mol
LogP7.09
Rot. Bonds8

About N-(4-hexoxyphenyl)acridin-9-amine

N-(4-hexoxyphenyl)acridin-9-amine (PubChem CID 10666866) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is N-(4-hexoxyphenyl)acridin-9-amine.

Molecular Properties

Compound NameN-(4-hexoxyphenyl)acridin-9-amine
PubChem CID10666866
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC NameN-(4-hexoxyphenyl)acridin-9-amine
SMILESCCCCCCOc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
InChIInChI=1S/C25H26N2O/c1-2-3-4-9-18-28-20-16-14-19(15-17-20)26-25-21-10-5-7-12-23(21)27-24-13-8-6-11-22(24)25/h5-8,10-17H,2-4,9,18H2,1H3,(H,26,27)
InChIKeyRBOVNWIDQKQXDL-UHFFFAOYSA-N
XLogP7.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-hexoxyphenyl)acridin-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-hexoxyphenyl)acridin-9-amine?
The IUPAC name of N-(4-hexoxyphenyl)acridin-9-amine (CID 10666866) is N-(4-hexoxyphenyl)acridin-9-amine.
What is the SMILES notation for N-(4-hexoxyphenyl)acridin-9-amine?
The canonical SMILES for N-(4-hexoxyphenyl)acridin-9-amine is CCCCCCOc1ccc(Nc2c3ccccc3nc3ccccc23)cc1.
What is the InChIKey of N-(4-hexoxyphenyl)acridin-9-amine?
The InChIKey is RBOVNWIDQKQXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-2-3-4-9-18-28-20-16-14-19(15-17-20)26-25-21-10-5-7-12-23(21)27-24-13-8-6-11-22(24)25/h5-8,10-17H,2-4,9,18H2,1H3,(H,26,27).
What are the key properties of N-(4-hexoxyphenyl)acridin-9-amine?
N-(4-hexoxyphenyl)acridin-9-amine has a molecular weight of 370.50 g/mol, XLogP of 7.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hexoxyphenyl)acridin-9-amine is sourced from PubChem (CID 10666866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).