3-chloroacridin-9-amine

C13H9ClN2 — CID 18866

IUPAC3-chloroacridin-9-amine
SMILESNc1c2ccccc2nc2cc(Cl)ccc12
InChIInChI=1S/C13H9ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h1-7H,(H2,15,16)
InChIKeyIRSNBSGPKPZUDV-UHFFFAOYSA-N
MW228.68 g/mol
LogP3.62
Rot. Bonds

About 3-chloroacridin-9-amine

3-chloroacridin-9-amine (PubChem CID 18866) has the molecular formula C13H9ClN2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 3-chloroacridin-9-amine.

Molecular Properties

Compound Name3-chloroacridin-9-amine
PubChem CID18866
Molecular FormulaC13H9ClN2
Molecular Weight228.68 g/mol
Exact Mass228.05
IUPAC Name3-chloroacridin-9-amine
SMILESNc1c2ccccc2nc2cc(Cl)ccc12
InChIInChI=1S/C13H9ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h1-7H,(H2,15,16)
InChIKeyIRSNBSGPKPZUDV-UHFFFAOYSA-N
XLogP3.62
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloroacridin-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 3-chloroacridin-9-amine?
The IUPAC name of 3-chloroacridin-9-amine (CID 18866) is 3-chloroacridin-9-amine.
What is the SMILES notation for 3-chloroacridin-9-amine?
The canonical SMILES for 3-chloroacridin-9-amine is Nc1c2ccccc2nc2cc(Cl)ccc12.
What is the InChIKey of 3-chloroacridin-9-amine?
The InChIKey is IRSNBSGPKPZUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h1-7H,(H2,15,16).
What are the key properties of 3-chloroacridin-9-amine?
3-chloroacridin-9-amine has a molecular weight of 228.68 g/mol, XLogP of 3.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloroacridin-9-amine is sourced from PubChem (CID 18866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).