4-amino-4H-anthracene-1,3,9,10-tetrone

C14H9NO4 — CID 150709096

IUPAC4-amino-4H-anthracene-1,3,9,10-tetrone
SMILESNC1C(=O)CC(=O)C2=C1C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H9NO4/c15-12-9(17)5-8(16)10-11(12)14(19)7-4-2-1-3-6(7)13(10)18/h1-4,12H,5,15H2
InChIKeyJNMNVJGNFZUAKJ-UHFFFAOYSA-N
MW255.23 g/mol
LogP0.23
Rot. Bonds

About 4-amino-4H-anthracene-1,3,9,10-tetrone

4-amino-4H-anthracene-1,3,9,10-tetrone (PubChem CID 150709096) has the molecular formula C14H9NO4 and a molecular weight of 255.23 g/mol. Its IUPAC name is 4-amino-4H-anthracene-1,3,9,10-tetrone.

Molecular Properties

Compound Name4-amino-4H-anthracene-1,3,9,10-tetrone
PubChem CID150709096
Molecular FormulaC14H9NO4
Molecular Weight255.23 g/mol
Exact Mass255.05
IUPAC Name4-amino-4H-anthracene-1,3,9,10-tetrone
SMILESNC1C(=O)CC(=O)C2=C1C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H9NO4/c15-12-9(17)5-8(16)10-11(12)14(19)7-4-2-1-3-6(7)13(10)18/h1-4,12H,5,15H2
InChIKeyJNMNVJGNFZUAKJ-UHFFFAOYSA-N
XLogP0.23
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

anthracene-1,2,4,9,10-pentone
CID 68577943
cobalt;bis(naphthalene-1,2,4-trione)
CID 70554472
2-[2-bromo-3-(1,3-dioxoinden-2-ylidene)inden-1-ylidene]indene-1,3-dione
CID 10814614
1,4-diamino-1,2,3,9a-tetrahydroanthracene-9,10-dione
CID 144512977
3,6-bis(1,3-dioxoinden-2-ylidene)piperazine-2,5-dione
CID 4528472
2-cyclooctyl-3-phenylnaphthalene-1,4-dione
CID 142748986
CID 158261979
CID 158261979
anthracene-9,10-dione;hydrofluoride
CID 172728823
CID 67824005
CID 67824005
CID 66807709
CID 66807709
lithium;anthracene-9,10-dione;hydride
CID 174683199
phenanthrene-9,10-dione
CID 6763

Frequently Asked Questions

What is the IUPAC name of 4-amino-4H-anthracene-1,3,9,10-tetrone?
The IUPAC name of 4-amino-4H-anthracene-1,3,9,10-tetrone (CID 150709096) is 4-amino-4H-anthracene-1,3,9,10-tetrone.
What is the SMILES notation for 4-amino-4H-anthracene-1,3,9,10-tetrone?
The canonical SMILES for 4-amino-4H-anthracene-1,3,9,10-tetrone is NC1C(=O)CC(=O)C2=C1C(=O)c1ccccc1C2=O.
What is the InChIKey of 4-amino-4H-anthracene-1,3,9,10-tetrone?
The InChIKey is JNMNVJGNFZUAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO4/c15-12-9(17)5-8(16)10-11(12)14(19)7-4-2-1-3-6(7)13(10)18/h1-4,12H,5,15H2.
What are the key properties of 4-amino-4H-anthracene-1,3,9,10-tetrone?
4-amino-4H-anthracene-1,3,9,10-tetrone has a molecular weight of 255.23 g/mol, XLogP of 0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4H-anthracene-1,3,9,10-tetrone is sourced from PubChem (CID 150709096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).