N-methyl-9,10-dioxoanthracene-2-carboxamide

C16H11NO3 — CID 10611710

IUPACN-methyl-9,10-dioxoanthracene-2-carboxamide
SMILESCNC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H11NO3/c1-17-16(20)9-6-7-12-13(8-9)15(19)11-5-3-2-4-10(11)14(12)18/h2-8H,1H3,(H,17,20)
InChIKeyZLCMTAWGVWNVJL-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.82
Rot. Bonds1

About N-methyl-9,10-dioxoanthracene-2-carboxamide

N-methyl-9,10-dioxoanthracene-2-carboxamide (PubChem CID 10611710) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is N-methyl-9,10-dioxoanthracene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-9,10-dioxoanthracene-2-carboxamide
PubChem CID10611710
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC NameN-methyl-9,10-dioxoanthracene-2-carboxamide
SMILESCNC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H11NO3/c1-17-16(20)9-6-7-12-13(8-9)15(19)11-5-3-2-4-10(11)14(12)18/h2-8H,1H3,(H,17,20)
InChIKeyZLCMTAWGVWNVJL-UHFFFAOYSA-N
XLogP1.82
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-9,10-dioxoanthracene-2-carboxamide?
The IUPAC name of N-methyl-9,10-dioxoanthracene-2-carboxamide (CID 10611710) is N-methyl-9,10-dioxoanthracene-2-carboxamide.
What is the SMILES notation for N-methyl-9,10-dioxoanthracene-2-carboxamide?
The canonical SMILES for N-methyl-9,10-dioxoanthracene-2-carboxamide is CNC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of N-methyl-9,10-dioxoanthracene-2-carboxamide?
The InChIKey is ZLCMTAWGVWNVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c1-17-16(20)9-6-7-12-13(8-9)15(19)11-5-3-2-4-10(11)14(12)18/h2-8H,1H3,(H,17,20).
What are the key properties of N-methyl-9,10-dioxoanthracene-2-carboxamide?
N-methyl-9,10-dioxoanthracene-2-carboxamide has a molecular weight of 265.27 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9,10-dioxoanthracene-2-carboxamide is sourced from PubChem (CID 10611710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).