1-amino-5-chloroanthracene-9,10-dione

C14H8ClNO2 — CID 8327

IUPAC1-amino-5-chloroanthracene-9,10-dione
SMILESNc1cccc2c1C(=O)c1cccc(Cl)c1C2=O
InChIInChI=1S/C14H8ClNO2/c15-9-5-1-3-7-11(9)13(17)8-4-2-6-10(16)12(8)14(7)18/h1-6H,16H2
InChIKeyQIHMGEKACAOTPE-UHFFFAOYSA-N
MW257.68 g/mol
LogP2.70
Rot. Bonds

About 1-amino-5-chloroanthracene-9,10-dione

1-amino-5-chloroanthracene-9,10-dione (PubChem CID 8327) has the molecular formula C14H8ClNO2 and a molecular weight of 257.68 g/mol. Its IUPAC name is 1-amino-5-chloroanthracene-9,10-dione.

Molecular Properties

Compound Name1-amino-5-chloroanthracene-9,10-dione
PubChem CID8327
Molecular FormulaC14H8ClNO2
Molecular Weight257.68 g/mol
Exact Mass257.02
IUPAC Name1-amino-5-chloroanthracene-9,10-dione
SMILESNc1cccc2c1C(=O)c1cccc(Cl)c1C2=O
InChIInChI=1S/C14H8ClNO2/c15-9-5-1-3-7-11(9)13(17)8-4-2-6-10(16)12(8)14(7)18/h1-6H,16H2
InChIKeyQIHMGEKACAOTPE-UHFFFAOYSA-N
XLogP2.70
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 52.70
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'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-amino-5-chloroanthracene-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

Related Compounds

Disperse Blue 1
CID 17190
Disperse Violet 1
CID 31420
2-Amino-5-chlorobenzophenone
CID 12870
1-Aminoanthraquinone
CID 6710
1,5-Diaminoanthraquinone
CID 8513
2-Amino-2',5-dichlorobenzophenone
CID 18069
1-Amino-4-chloro-9,10-anthracenedione
CID 17884
1-Chloro-5-nitroanthraquinone
CID 8510
Chlorobenzone
CID 6679
2,6-Diamino-1,5-dichloroanthracene-9,10-dione
CID 246666
Benzamide, N-(5-chloro-9,10-dihydro-9,10-dioxo-1-anthracenyl)-
CID 8325
2-Amino-3-chloroanthraquinone
CID 344301

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-chloroanthracene-9,10-dione?
The IUPAC name of 1-amino-5-chloroanthracene-9,10-dione (CID 8327) is 1-amino-5-chloroanthracene-9,10-dione.
What is the SMILES notation for 1-amino-5-chloroanthracene-9,10-dione?
The canonical SMILES for 1-amino-5-chloroanthracene-9,10-dione is Nc1cccc2c1C(=O)c1cccc(Cl)c1C2=O.
What is the InChIKey of 1-amino-5-chloroanthracene-9,10-dione?
The InChIKey is QIHMGEKACAOTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO2/c15-9-5-1-3-7-11(9)13(17)8-4-2-6-10(16)12(8)14(7)18/h1-6H,16H2.
What are the key properties of 1-amino-5-chloroanthracene-9,10-dione?
1-amino-5-chloroanthracene-9,10-dione has a molecular weight of 257.68 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-chloroanthracene-9,10-dione is sourced from PubChem (CID 8327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).