6,9-dichloro-1-methoxyacridine

C14H9Cl2NO — CID 54563555

IUPAC6,9-dichloro-1-methoxyacridine
SMILESCOc1cccc2nc3cc(Cl)ccc3c(Cl)c12
InChIInChI=1S/C14H9Cl2NO/c1-18-12-4-2-3-10-13(12)14(16)9-6-5-8(15)7-11(9)17-10/h2-7H,1H3
InChIKeyZSGKZLGEKGPDDX-UHFFFAOYSA-N
MW278.14 g/mol
LogP4.70
Rot. Bonds1

About 6,9-dichloro-1-methoxyacridine

6,9-dichloro-1-methoxyacridine (PubChem CID 54563555) has the molecular formula C14H9Cl2NO and a molecular weight of 278.14 g/mol. Its IUPAC name is 6,9-dichloro-1-methoxyacridine.

Molecular Properties

Compound Name6,9-dichloro-1-methoxyacridine
PubChem CID54563555
Molecular FormulaC14H9Cl2NO
Molecular Weight278.14 g/mol
Exact Mass277.01
IUPAC Name6,9-dichloro-1-methoxyacridine
SMILESCOc1cccc2nc3cc(Cl)ccc3c(Cl)c12
InChIInChI=1S/C14H9Cl2NO/c1-18-12-4-2-3-10-13(12)14(16)9-6-5-8(15)7-11(9)17-10/h2-7H,1H3
InChIKeyZSGKZLGEKGPDDX-UHFFFAOYSA-N
XLogP4.70
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,9-dichloro-1-methoxyacridine?
The IUPAC name of 6,9-dichloro-1-methoxyacridine (CID 54563555) is 6,9-dichloro-1-methoxyacridine.
What is the SMILES notation for 6,9-dichloro-1-methoxyacridine?
The canonical SMILES for 6,9-dichloro-1-methoxyacridine is COc1cccc2nc3cc(Cl)ccc3c(Cl)c12.
What is the InChIKey of 6,9-dichloro-1-methoxyacridine?
The InChIKey is ZSGKZLGEKGPDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO/c1-18-12-4-2-3-10-13(12)14(16)9-6-5-8(15)7-11(9)17-10/h2-7H,1H3.
What are the key properties of 6,9-dichloro-1-methoxyacridine?
6,9-dichloro-1-methoxyacridine has a molecular weight of 278.14 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dichloro-1-methoxyacridine is sourced from PubChem (CID 54563555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).