1-[(2-oxo-1-phenylethenyl)amino]anthracene-9,10-dione

C22H13NO3 — CID 176542149

IUPAC1-[(2-oxo-1-phenylethenyl)amino]anthracene-9,10-dione
SMILESO=C=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1
InChIInChI=1S/C22H13NO3/c24-13-19(14-7-2-1-3-8-14)23-18-12-6-11-17-20(18)22(26)16-10-5-4-9-15(16)21(17)25/h1-12,23H
InChIKeyOSFZNBKQGUKLTF-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.75
Rot. Bonds3

About 1-[(2-oxo-1-phenylethenyl)amino]anthracene-9,10-dione

1-[(2-oxo-1-phenylethenyl)amino]anthracene-9,10-dione (PubChem CID 176542149) has the molecular formula C22H13NO3 and a molecular weight of 339.35 g/mol. Its IUPAC name is 1-[(2-oxo-1-phenylethenyl)amino]anthracene-9,10-dione.

Molecular Properties

Compound Name1-[(2-oxo-1-phenylethenyl)amino]anthracene-9,10-dione
PubChem CID176542149
Molecular FormulaC22H13NO3
Molecular Weight339.35 g/mol
Exact Mass339.09
IUPAC Name1-[(2-oxo-1-phenylethenyl)amino]anthracene-9,10-dione
SMILESO=C=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1
InChIInChI=1S/C22H13NO3/c24-13-19(14-7-2-1-3-8-14)23-18-12-6-11-17-20(18)22(26)16-10-5-4-9-15(16)21(17)25/h1-12,23H
InChIKeyOSFZNBKQGUKLTF-UHFFFAOYSA-N
XLogP3.75
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

N-(8-benzamido-9,10-dioxoanthracen-1-yl)benzamide
CID 2839734
methyl N-(9,10-dioxoanthracen-1-yl)carbamate
CID 4161864
N-(9,10-dioxoanthracen-1-yl)-9,10-dioxoanthracene-1-carboxamide
CID 3343697
2-bromo-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 24884684
(9,10-dioxoanthracen-1-yl)thiourea
CID 82030669
methyl 4-[(9,10-dioxoanthracen-1-yl)carbamoyl]benzoate
CID 4138390
N'-(2,6-dimethylphenyl)-N-(9,10-dioxoanthracen-1-yl)oxamide
CID 13439298
6-bromo-N-(9,10-dioxoanthracen-1-yl)hexanamide
CID 44614049
N-(9,10-dioxoanthracen-1-yl)-2-phenylcyclopropane-1-carboxamide
CID 3349653
N-(9,10-dioxoanthracen-1-yl)-2-(dipropylamino)acetamide
CID 34599401
N-(5-amino-9,10-dioxoanthracen-1-yl)acetamide;N-(5-amino-9,10-dioxoanthracen-1-yl)benzamide
CID 19828301
N-(9-methylidene-10-oxoanthracen-1-yl)acetamide
CID 138614732

Frequently Asked Questions

What is the IUPAC name of 1-[(2-oxo-1-phenylethenyl)amino]anthracene-9,10-dione?
The IUPAC name of 1-[(2-oxo-1-phenylethenyl)amino]anthracene-9,10-dione (CID 176542149) is 1-[(2-oxo-1-phenylethenyl)amino]anthracene-9,10-dione.
What is the SMILES notation for 1-[(2-oxo-1-phenylethenyl)amino]anthracene-9,10-dione?
The canonical SMILES for 1-[(2-oxo-1-phenylethenyl)amino]anthracene-9,10-dione is O=C=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1.
What is the InChIKey of 1-[(2-oxo-1-phenylethenyl)amino]anthracene-9,10-dione?
The InChIKey is OSFZNBKQGUKLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13NO3/c24-13-19(14-7-2-1-3-8-14)23-18-12-6-11-17-20(18)22(26)16-10-5-4-9-15(16)21(17)25/h1-12,23H.
What are the key properties of 1-[(2-oxo-1-phenylethenyl)amino]anthracene-9,10-dione?
1-[(2-oxo-1-phenylethenyl)amino]anthracene-9,10-dione has a molecular weight of 339.35 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-oxo-1-phenylethenyl)amino]anthracene-9,10-dione is sourced from PubChem (CID 176542149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).