1-amino-4-chloro-2-methylanthracene-9,10-dione

C15H10ClNO2 — CID 18593

IUPAC1-amino-4-chloro-2-methylanthracene-9,10-dione
SMILESCc1cc(Cl)c2c(c1N)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H10ClNO2/c1-7-6-10(16)11-12(13(7)17)15(19)9-5-3-2-4-8(9)14(11)18/h2-6H,17H2,1H3
InChIKeyXHWWVXZEALFXQA-UHFFFAOYSA-N
MW271.70 g/mol
LogP3.01
Rot. Bonds

About 1-amino-4-chloro-2-methylanthracene-9,10-dione

1-amino-4-chloro-2-methylanthracene-9,10-dione (PubChem CID 18593) has the molecular formula C15H10ClNO2 and a molecular weight of 271.70 g/mol. Its IUPAC name is 1-amino-4-chloro-2-methylanthracene-9,10-dione.

Molecular Properties

Compound Name1-amino-4-chloro-2-methylanthracene-9,10-dione
PubChem CID18593
Molecular FormulaC15H10ClNO2
Molecular Weight271.70 g/mol
Exact Mass271.04
IUPAC Name1-amino-4-chloro-2-methylanthracene-9,10-dione
SMILESCc1cc(Cl)c2c(c1N)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H10ClNO2/c1-7-6-10(16)11-12(13(7)17)15(19)9-5-3-2-4-8(9)14(11)18/h2-6H,17H2,1H3
InChIKeyXHWWVXZEALFXQA-UHFFFAOYSA-N
XLogP3.01
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 53.01
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-chloro-2-methylanthracene-9,10-dione?
The IUPAC name of 1-amino-4-chloro-2-methylanthracene-9,10-dione (CID 18593) is 1-amino-4-chloro-2-methylanthracene-9,10-dione.
What is the SMILES notation for 1-amino-4-chloro-2-methylanthracene-9,10-dione?
The canonical SMILES for 1-amino-4-chloro-2-methylanthracene-9,10-dione is Cc1cc(Cl)c2c(c1N)C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-amino-4-chloro-2-methylanthracene-9,10-dione?
The InChIKey is XHWWVXZEALFXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO2/c1-7-6-10(16)11-12(13(7)17)15(19)9-5-3-2-4-8(9)14(11)18/h2-6H,17H2,1H3.
What are the key properties of 1-amino-4-chloro-2-methylanthracene-9,10-dione?
1-amino-4-chloro-2-methylanthracene-9,10-dione has a molecular weight of 271.70 g/mol, XLogP of 3.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-chloro-2-methylanthracene-9,10-dione is sourced from PubChem (CID 18593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).