1-chloro-4-(methylamino)anthracene-9,10-dione

C15H10ClNO2 — CID 3617264

IUPAC1-chloro-4-(methylamino)anthracene-9,10-dione
SMILESCNc1ccc(Cl)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H10ClNO2/c1-17-11-7-6-10(16)12-13(11)15(19)9-5-3-2-4-8(9)14(12)18/h2-7,17H,1H3
InChIKeyUSLPUVQXZASXNR-UHFFFAOYSA-N
MW271.70 g/mol
LogP3.16
Rot. Bonds1

About 1-chloro-4-(methylamino)anthracene-9,10-dione

1-chloro-4-(methylamino)anthracene-9,10-dione (PubChem CID 3617264) has the molecular formula C15H10ClNO2 and a molecular weight of 271.70 g/mol. Its IUPAC name is 1-chloro-4-(methylamino)anthracene-9,10-dione.

Molecular Properties

Compound Name1-chloro-4-(methylamino)anthracene-9,10-dione
PubChem CID3617264
Molecular FormulaC15H10ClNO2
Molecular Weight271.70 g/mol
Exact Mass271.04
IUPAC Name1-chloro-4-(methylamino)anthracene-9,10-dione
SMILESCNc1ccc(Cl)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H10ClNO2/c1-17-11-7-6-10(16)12-13(11)15(19)9-5-3-2-4-8(9)14(12)18/h2-7,17H,1H3
InChIKeyUSLPUVQXZASXNR-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(methylamino)anthracene-9,10-dione?
The IUPAC name of 1-chloro-4-(methylamino)anthracene-9,10-dione (CID 3617264) is 1-chloro-4-(methylamino)anthracene-9,10-dione.
What is the SMILES notation for 1-chloro-4-(methylamino)anthracene-9,10-dione?
The canonical SMILES for 1-chloro-4-(methylamino)anthracene-9,10-dione is CNc1ccc(Cl)c2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-chloro-4-(methylamino)anthracene-9,10-dione?
The InChIKey is USLPUVQXZASXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO2/c1-17-11-7-6-10(16)12-13(11)15(19)9-5-3-2-4-8(9)14(12)18/h2-7,17H,1H3.
What are the key properties of 1-chloro-4-(methylamino)anthracene-9,10-dione?
1-chloro-4-(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 1-chloro-4-(methylamino)anthracene-9,10-dione is sourced from PubChem (CID 3617264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).