5,6,7,8-tetrachloro-4-methoxyiminonaphthalen-1-one

C11H5Cl4NO2 — CID 88532114

IUPAC5,6,7,8-tetrachloro-4-methoxyiminonaphthalen-1-one
SMILESCON=C1C=CC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21
InChIInChI=1S/C11H5Cl4NO2/c1-18-16-4-2-3-5(17)7-6(4)8(12)10(14)11(15)9(7)13/h2-3H,1H3
InChIKeyCTBMJBSSQMAJPL-UHFFFAOYSA-N
MW324.98 g/mol
LogP4.40
Rot. Bonds1

About 5,6,7,8-tetrachloro-4-methoxyiminonaphthalen-1-one

5,6,7,8-tetrachloro-4-methoxyiminonaphthalen-1-one (PubChem CID 88532114) has the molecular formula C11H5Cl4NO2 and a molecular weight of 324.98 g/mol. Its IUPAC name is 5,6,7,8-tetrachloro-4-methoxyiminonaphthalen-1-one.

Molecular Properties

Compound Name5,6,7,8-tetrachloro-4-methoxyiminonaphthalen-1-one
PubChem CID88532114
Molecular FormulaC11H5Cl4NO2
Molecular Weight324.98 g/mol
Exact Mass322.91
IUPAC Name5,6,7,8-tetrachloro-4-methoxyiminonaphthalen-1-one
SMILESCON=C1C=CC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21
InChIInChI=1S/C11H5Cl4NO2/c1-18-16-4-2-3-5(17)7-6(4)8(12)10(14)11(15)9(7)13/h2-3H,1H3
InChIKeyCTBMJBSSQMAJPL-UHFFFAOYSA-N
XLogP4.40
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.98
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrachloro-4-methoxyiminonaphthalen-1-one?
The IUPAC name of 5,6,7,8-tetrachloro-4-methoxyiminonaphthalen-1-one (CID 88532114) is 5,6,7,8-tetrachloro-4-methoxyiminonaphthalen-1-one.
What is the SMILES notation for 5,6,7,8-tetrachloro-4-methoxyiminonaphthalen-1-one?
The canonical SMILES for 5,6,7,8-tetrachloro-4-methoxyiminonaphthalen-1-one is CON=C1C=CC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21.
What is the InChIKey of 5,6,7,8-tetrachloro-4-methoxyiminonaphthalen-1-one?
The InChIKey is CTBMJBSSQMAJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl4NO2/c1-18-16-4-2-3-5(17)7-6(4)8(12)10(14)11(15)9(7)13/h2-3H,1H3.
What are the key properties of 5,6,7,8-tetrachloro-4-methoxyiminonaphthalen-1-one?
5,6,7,8-tetrachloro-4-methoxyiminonaphthalen-1-one has a molecular weight of 324.98 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrachloro-4-methoxyiminonaphthalen-1-one is sourced from PubChem (CID 88532114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).