1-amino-5-chloro-2-methoxyanthracene-9,10-dione

C15H10ClNO3 — CID 154329487

IUPAC1-amino-5-chloro-2-methoxyanthracene-9,10-dione
SMILESCOc1ccc2c(c1N)C(=O)c1cccc(Cl)c1C2=O
InChIInChI=1S/C15H10ClNO3/c1-20-10-6-5-8-12(13(10)17)15(19)7-3-2-4-9(16)11(7)14(8)18/h2-6H,17H2,1H3
InChIKeyZKSQXZOGGFZDPU-UHFFFAOYSA-N
MW287.70 g/mol
LogP2.71
Rot. Bonds1

About 1-amino-5-chloro-2-methoxyanthracene-9,10-dione

1-amino-5-chloro-2-methoxyanthracene-9,10-dione (PubChem CID 154329487) has the molecular formula C15H10ClNO3 and a molecular weight of 287.70 g/mol. Its IUPAC name is 1-amino-5-chloro-2-methoxyanthracene-9,10-dione.

Molecular Properties

Compound Name1-amino-5-chloro-2-methoxyanthracene-9,10-dione
PubChem CID154329487
Molecular FormulaC15H10ClNO3
Molecular Weight287.70 g/mol
Exact Mass287.03
IUPAC Name1-amino-5-chloro-2-methoxyanthracene-9,10-dione
SMILESCOc1ccc2c(c1N)C(=O)c1cccc(Cl)c1C2=O
InChIInChI=1S/C15H10ClNO3/c1-20-10-6-5-8-12(13(10)17)15(19)7-3-2-4-9(16)11(7)14(8)18/h2-6H,17H2,1H3
InChIKeyZKSQXZOGGFZDPU-UHFFFAOYSA-N
XLogP2.71
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-5-chloro-2-methoxyanthracene-9,10-dione?
The IUPAC name of 1-amino-5-chloro-2-methoxyanthracene-9,10-dione (CID 154329487) is 1-amino-5-chloro-2-methoxyanthracene-9,10-dione.
What is the SMILES notation for 1-amino-5-chloro-2-methoxyanthracene-9,10-dione?
The canonical SMILES for 1-amino-5-chloro-2-methoxyanthracene-9,10-dione is COc1ccc2c(c1N)C(=O)c1cccc(Cl)c1C2=O.
What is the InChIKey of 1-amino-5-chloro-2-methoxyanthracene-9,10-dione?
The InChIKey is ZKSQXZOGGFZDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO3/c1-20-10-6-5-8-12(13(10)17)15(19)7-3-2-4-9(16)11(7)14(8)18/h2-6H,17H2,1H3.
What are the key properties of 1-amino-5-chloro-2-methoxyanthracene-9,10-dione?
1-amino-5-chloro-2-methoxyanthracene-9,10-dione has a molecular weight of 287.70 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-chloro-2-methoxyanthracene-9,10-dione is sourced from PubChem (CID 154329487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).