N-methyl-9,10-dioxoanthracene-1-carboxamide

C16H11NO3 — CID 71365214

IUPACN-methyl-9,10-dioxoanthracene-1-carboxamide
SMILESCNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H11NO3/c1-17-16(20)12-8-4-7-11-13(12)15(19)10-6-3-2-5-9(10)14(11)18/h2-8H,1H3,(H,17,20)
InChIKeyAJBDIXANZYGTNY-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.82
Rot. Bonds1

About N-methyl-9,10-dioxoanthracene-1-carboxamide

N-methyl-9,10-dioxoanthracene-1-carboxamide (PubChem CID 71365214) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is N-methyl-9,10-dioxoanthracene-1-carboxamide.

Molecular Properties

Compound NameN-methyl-9,10-dioxoanthracene-1-carboxamide
PubChem CID71365214
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC NameN-methyl-9,10-dioxoanthracene-1-carboxamide
SMILESCNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H11NO3/c1-17-16(20)12-8-4-7-11-13(12)15(19)10-6-3-2-5-9(10)14(11)18/h2-8H,1H3,(H,17,20)
InChIKeyAJBDIXANZYGTNY-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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Related Compounds

N-(9,10-dioxoanthracen-1-yl)-9,10-dioxoanthracene-1-carboxamide
CID 3343697
[2-(methylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 7969695
[2-(methylcarbamoylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 4833186
N-(2,6-dimethylphenyl)-9-oxofluorene-1-carboxamide
CID 11558929
9-oxofluorene-1-carboxylate
CID 6928439
9-oxofluorene-4-carbonyl chloride
CID 610142
N,2-dimethyl-3-(2-methylphenyl)benzamide
CID 154015357
N-methyl-1-oxo-2,3-dihydroindene-4-carboxamide
CID 130014945
methyl (2R)-2-[[8-[[(2R)-1-methoxy-1-oxo-3-sulfanylpropan-2-yl]carbamoyl]-9,10-dioxoanthracene-1-carbonyl]amino]-3-sulfanylpropanoate
CID 102415408
4-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid
CID 4974681
butyl 9,10-dioxoanthracene-1-carboxylate
CID 18098381
methyl N-(9,10-dioxoanthracen-1-yl)carbamate
CID 4161864

Frequently Asked Questions

What is the IUPAC name of N-methyl-9,10-dioxoanthracene-1-carboxamide?
The IUPAC name of N-methyl-9,10-dioxoanthracene-1-carboxamide (CID 71365214) is N-methyl-9,10-dioxoanthracene-1-carboxamide.
What is the SMILES notation for N-methyl-9,10-dioxoanthracene-1-carboxamide?
The canonical SMILES for N-methyl-9,10-dioxoanthracene-1-carboxamide is CNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of N-methyl-9,10-dioxoanthracene-1-carboxamide?
The InChIKey is AJBDIXANZYGTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c1-17-16(20)12-8-4-7-11-13(12)15(19)10-6-3-2-5-9(10)14(11)18/h2-8H,1H3,(H,17,20).
What are the key properties of N-methyl-9,10-dioxoanthracene-1-carboxamide?
N-methyl-9,10-dioxoanthracene-1-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-1-carboxamide is sourced from PubChem (CID 71365214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).