7-chloro-1-(methylamino)anthracene-9,10-dione

C15H10ClNO2 — CID 71399366

IUPAC7-chloro-1-(methylamino)anthracene-9,10-dione
SMILESCNc1cccc2c1C(=O)c1cc(Cl)ccc1C2=O
InChIInChI=1S/C15H10ClNO2/c1-17-12-4-2-3-10-13(12)15(19)11-7-8(16)5-6-9(11)14(10)18/h2-7,17H,1H3
InChIKeyWEALJLQXRMIVCU-UHFFFAOYSA-N
MW271.70 g/mol
LogP3.16
Rot. Bonds1

About 7-chloro-1-(methylamino)anthracene-9,10-dione

7-chloro-1-(methylamino)anthracene-9,10-dione (PubChem CID 71399366) has the molecular formula C15H10ClNO2 and a molecular weight of 271.70 g/mol. Its IUPAC name is 7-chloro-1-(methylamino)anthracene-9,10-dione.

Molecular Properties

Compound Name7-chloro-1-(methylamino)anthracene-9,10-dione
PubChem CID71399366
Molecular FormulaC15H10ClNO2
Molecular Weight271.70 g/mol
Exact Mass271.04
IUPAC Name7-chloro-1-(methylamino)anthracene-9,10-dione
SMILESCNc1cccc2c1C(=O)c1cc(Cl)ccc1C2=O
InChIInChI=1S/C15H10ClNO2/c1-17-12-4-2-3-10-13(12)15(19)11-7-8(16)5-6-9(11)14(10)18/h2-7,17H,1H3
InChIKeyWEALJLQXRMIVCU-UHFFFAOYSA-N
XLogP3.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-chloro-1-(methylamino)anthracene-9,10-dione 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 7-chloro-1-(methylamino)anthracene-9,10-dione?
The IUPAC name of 7-chloro-1-(methylamino)anthracene-9,10-dione (CID 71399366) is 7-chloro-1-(methylamino)anthracene-9,10-dione.
What is the SMILES notation for 7-chloro-1-(methylamino)anthracene-9,10-dione?
The canonical SMILES for 7-chloro-1-(methylamino)anthracene-9,10-dione is CNc1cccc2c1C(=O)c1cc(Cl)ccc1C2=O.
What is the InChIKey of 7-chloro-1-(methylamino)anthracene-9,10-dione?
The InChIKey is WEALJLQXRMIVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO2/c1-17-12-4-2-3-10-13(12)15(19)11-7-8(16)5-6-9(11)14(10)18/h2-7,17H,1H3.
What are the key properties of 7-chloro-1-(methylamino)anthracene-9,10-dione?
7-chloro-1-(methylamino)anthracene-9,10-dione has a molecular weight of 271.70 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(methylamino)anthracene-9,10-dione is sourced from PubChem (CID 71399366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).