N-(9,10-dioxoanthracen-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

C23H14N4O4 — CID 38934566

IUPACN-(9,10-dioxoanthracen-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESO=C(Cn1nnc2ccccc2c1=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C23H14N4O4/c28-20(12-27-23(31)17-7-3-4-8-19(17)25-26-27)24-13-9-10-16-18(11-13)22(30)15-6-2-1-5-14(15)21(16)29/h1-11H,12H2,(H,24,28)
InChIKeyQSSWGZMHNKPZOK-UHFFFAOYSA-N
MW410.39 g/mol
LogP2.21
Rot. Bonds3

About N-(9,10-dioxoanthracen-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

N-(9,10-dioxoanthracen-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (PubChem CID 38934566) has the molecular formula C23H14N4O4 and a molecular weight of 410.39 g/mol. Its IUPAC name is N-(9,10-dioxoanthracen-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.

Molecular Properties

Compound NameN-(9,10-dioxoanthracen-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
PubChem CID38934566
Molecular FormulaC23H14N4O4
Molecular Weight410.39 g/mol
Exact Mass410.10
IUPAC NameN-(9,10-dioxoanthracen-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESO=C(Cn1nnc2ccccc2c1=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C23H14N4O4/c28-20(12-27-23(31)17-7-3-4-8-19(17)25-26-27)24-13-9-10-16-18(11-13)22(30)15-6-2-1-5-14(15)21(16)29/h1-11H,12H2,(H,24,28)
InChIKeyQSSWGZMHNKPZOK-UHFFFAOYSA-N
XLogP2.21
TPSA111.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2695518
N-(4-anilinophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 46554459
N-(3,5-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 27055170
N-(3-chloro-4-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2550571
N-(4-tert-butylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 7919313
N-(4-butan-2-ylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 78766557
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 7529267
N-[3-(methylsulfonylmethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 52795640
N-(5-acetamido-2-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 55691997
N-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 71700635
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26465780
N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 99984183

Frequently Asked Questions

What is the IUPAC name of N-(9,10-dioxoanthracen-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The IUPAC name of N-(9,10-dioxoanthracen-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (CID 38934566) is N-(9,10-dioxoanthracen-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.
What is the SMILES notation for N-(9,10-dioxoanthracen-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The canonical SMILES for N-(9,10-dioxoanthracen-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is O=C(Cn1nnc2ccccc2c1=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of N-(9,10-dioxoanthracen-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The InChIKey is QSSWGZMHNKPZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N4O4/c28-20(12-27-23(31)17-7-3-4-8-19(17)25-26-27)24-13-9-10-16-18(11-13)22(30)15-6-2-1-5-14(15)21(16)29/h1-11H,12H2,(H,24,28).
What are the key properties of N-(9,10-dioxoanthracen-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
N-(9,10-dioxoanthracen-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide has a molecular weight of 410.39 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-dioxoanthracen-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is sourced from PubChem (CID 38934566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).