9,10-dioxoanthracene-2,3-dicarboximidamide

C16H12N4O2 — CID 152601753

IUPAC9,10-dioxoanthracene-2,3-dicarboximidamide
SMILES[H]/N=C(\N)c1cc2c(cc1/C(N)=N/[H])C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H12N4O2/c17-15(18)11-5-9-10(6-12(11)16(19)20)14(22)8-4-2-1-3-7(8)13(9)21/h1-6H,(H3,17,18)(H3,19,20)
InChIKeyYXRJIOVKJJICSN-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.03
Rot. Bonds2

About 9,10-dioxoanthracene-2,3-dicarboximidamide

9,10-dioxoanthracene-2,3-dicarboximidamide (PubChem CID 152601753) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 9,10-dioxoanthracene-2,3-dicarboximidamide.

Molecular Properties

Compound Name9,10-dioxoanthracene-2,3-dicarboximidamide
PubChem CID152601753
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name9,10-dioxoanthracene-2,3-dicarboximidamide
SMILES[H]/N=C(\N)c1cc2c(cc1/C(N)=N/[H])C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H12N4O2/c17-15(18)11-5-9-10(6-12(11)16(19)20)14(22)8-4-2-1-3-7(8)13(9)21/h1-6H,(H3,17,18)(H3,19,20)
InChIKeyYXRJIOVKJJICSN-UHFFFAOYSA-N
XLogP1.03
TPSA133.88 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-3-oxoindene-2-carboximidamide
CID 137242051
anthracene-9,10-dione;carbamic acid
CID 70556478
2-[5-(2-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide
CID 19362129
2,3-dihydroxyanthracene-9,10-dione
CID 11031986
2-(3-bromophenyl)benzenecarboximidamide
CID 6344753
2-(4-formylphenyl)benzenecarboximidamide
CID 89125419
CID 158261979
CID 158261979
anthracene-9,10-dione;phthalic acid
CID 158904853
2-nitrobenzenecarboximidamide;hydrochloride
CID 21271815
lithium;anthracene-9,10-dione;hydride
CID 174683199
CID 67824005
CID 67824005
anthracene-9,10-dione;hydrofluoride
CID 172728823

Frequently Asked Questions

What is the IUPAC name of 9,10-dioxoanthracene-2,3-dicarboximidamide?
The IUPAC name of 9,10-dioxoanthracene-2,3-dicarboximidamide (CID 152601753) is 9,10-dioxoanthracene-2,3-dicarboximidamide.
What is the SMILES notation for 9,10-dioxoanthracene-2,3-dicarboximidamide?
The canonical SMILES for 9,10-dioxoanthracene-2,3-dicarboximidamide is [H]/N=C(\N)c1cc2c(cc1/C(N)=N/[H])C(=O)c1ccccc1C2=O.
What is the InChIKey of 9,10-dioxoanthracene-2,3-dicarboximidamide?
The InChIKey is YXRJIOVKJJICSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c17-15(18)11-5-9-10(6-12(11)16(19)20)14(22)8-4-2-1-3-7(8)13(9)21/h1-6H,(H3,17,18)(H3,19,20).
What are the key properties of 9,10-dioxoanthracene-2,3-dicarboximidamide?
9,10-dioxoanthracene-2,3-dicarboximidamide has a molecular weight of 292.30 g/mol, XLogP of 1.03, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dioxoanthracene-2,3-dicarboximidamide is sourced from PubChem (CID 152601753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).