5-methoxy-9,10-dioxoanthracene-2-carboxamide

C16H11NO4 — CID 169240451

IUPAC5-methoxy-9,10-dioxoanthracene-2-carboxamide
SMILESCOc1cccc2c1C(=O)c1ccc(C(N)=O)cc1C2=O
InChIInChI=1S/C16H11NO4/c1-21-12-4-2-3-10-13(12)15(19)9-6-5-8(16(17)20)7-11(9)14(10)18/h2-7H,1H3,(H2,17,20)
InChIKeyUKLFZXSSJMVWMF-UHFFFAOYSA-N
MW281.27 g/mol
LogP1.57
Rot. Bonds2

About 5-methoxy-9,10-dioxoanthracene-2-carboxamide

5-methoxy-9,10-dioxoanthracene-2-carboxamide (PubChem CID 169240451) has the molecular formula C16H11NO4 and a molecular weight of 281.27 g/mol. Its IUPAC name is 5-methoxy-9,10-dioxoanthracene-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-9,10-dioxoanthracene-2-carboxamide
PubChem CID169240451
Molecular FormulaC16H11NO4
Molecular Weight281.27 g/mol
Exact Mass281.07
IUPAC Name5-methoxy-9,10-dioxoanthracene-2-carboxamide
SMILESCOc1cccc2c1C(=O)c1ccc(C(N)=O)cc1C2=O
InChIInChI=1S/C16H11NO4/c1-21-12-4-2-3-10-13(12)15(19)9-6-5-8(16(17)20)7-11(9)14(10)18/h2-7H,1H3,(H2,17,20)
InChIKeyUKLFZXSSJMVWMF-UHFFFAOYSA-N
XLogP1.57
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-9,10-dioxoanthracene-2-carbaldehyde
CID 95931045
1,5-dimethoxyfluoren-9-one
CID 19594782
2-(2-methoxyphenyl)-9-oxofluorene-1-carboxamide
CID 69107536
dimethyl 5-methoxy-1,4-dioxonaphthalene-2,3-dicarboxylate
CID 10470278
ethyl 1-hydroxy-5-methoxy-9,10-dioxoanthracene-2-carboxylate
CID 134937894
2-(1-hydroxyethyl)-8-methoxybenzo[f][1]benzofuran-4,9-dione
CID 14861205
1-hydroxy-5-methoxy-2-(2-oxopropyl)anthracene-9,10-dione
CID 11109668
(1-hydroxy-8-methoxy-9,10-dioxoanthracen-2-yl) acetate
CID 67569882
1-hydroxy-2-(1-hydroxyethyl)-8-methoxyanthracene-9,10-dione
CID 11300971
1-(2-hydroxyethoxy)-5-methoxyanthracene-9,10-dione
CID 90269328
1-hydroxy-7-methoxyanthracene-9,10-dione
CID 10515079
4-methoxy-3-(3-methoxyphenyl)benzamide
CID 123866555

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-9,10-dioxoanthracene-2-carboxamide?
The IUPAC name of 5-methoxy-9,10-dioxoanthracene-2-carboxamide (CID 169240451) is 5-methoxy-9,10-dioxoanthracene-2-carboxamide.
What is the SMILES notation for 5-methoxy-9,10-dioxoanthracene-2-carboxamide?
The canonical SMILES for 5-methoxy-9,10-dioxoanthracene-2-carboxamide is COc1cccc2c1C(=O)c1ccc(C(N)=O)cc1C2=O.
What is the InChIKey of 5-methoxy-9,10-dioxoanthracene-2-carboxamide?
The InChIKey is UKLFZXSSJMVWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO4/c1-21-12-4-2-3-10-13(12)15(19)9-6-5-8(16(17)20)7-11(9)14(10)18/h2-7H,1H3,(H2,17,20).
What are the key properties of 5-methoxy-9,10-dioxoanthracene-2-carboxamide?
5-methoxy-9,10-dioxoanthracene-2-carboxamide has a molecular weight of 281.27 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-9,10-dioxoanthracene-2-carboxamide is sourced from PubChem (CID 169240451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).