6-chloro-2-methoxyacridin-9-amine

C14H11ClN2O — CID 19080

IUPAC6-chloro-2-methoxyacridin-9-amine
SMILESCOc1ccc2nc3cc(Cl)ccc3c(N)c2c1
InChIInChI=1S/C14H11ClN2O/c1-18-9-3-5-12-11(7-9)14(16)10-4-2-8(15)6-13(10)17-12/h2-7H,1H3,(H2,16,17)
InChIKeyIHHSSHCBRVYGJX-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.63
Rot. Bonds1

About 6-chloro-2-methoxyacridin-9-amine

6-chloro-2-methoxyacridin-9-amine (PubChem CID 19080) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 6-chloro-2-methoxyacridin-9-amine.

Molecular Properties

Compound Name6-chloro-2-methoxyacridin-9-amine
PubChem CID19080
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name6-chloro-2-methoxyacridin-9-amine
SMILESCOc1ccc2nc3cc(Cl)ccc3c(N)c2c1
InChIInChI=1S/C14H11ClN2O/c1-18-9-3-5-12-11(7-9)14(16)10-4-2-8(15)6-13(10)17-12/h2-7H,1H3,(H2,16,17)
InChIKeyIHHSSHCBRVYGJX-UHFFFAOYSA-N
XLogP3.63
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-2-methoxyacridin-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 6-chloro-2-methoxyacridin-9-amine?
The IUPAC name of 6-chloro-2-methoxyacridin-9-amine (CID 19080) is 6-chloro-2-methoxyacridin-9-amine.
What is the SMILES notation for 6-chloro-2-methoxyacridin-9-amine?
The canonical SMILES for 6-chloro-2-methoxyacridin-9-amine is COc1ccc2nc3cc(Cl)ccc3c(N)c2c1.
What is the InChIKey of 6-chloro-2-methoxyacridin-9-amine?
The InChIKey is IHHSSHCBRVYGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-18-9-3-5-12-11(7-9)14(16)10-4-2-8(15)6-13(10)17-12/h2-7H,1H3,(H2,16,17).
What are the key properties of 6-chloro-2-methoxyacridin-9-amine?
6-chloro-2-methoxyacridin-9-amine has a molecular weight of 258.71 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methoxyacridin-9-amine is sourced from PubChem (CID 19080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).