1,3-bis(dimethylamino)anthracene-9,10-dione

C18H18N2O2 — CID 2833794

IUPAC1,3-bis(dimethylamino)anthracene-9,10-dione
SMILESCN(C)c1cc2c(c(N(C)C)c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C18H18N2O2/c1-19(2)11-9-14-16(15(10-11)20(3)4)18(22)13-8-6-5-7-12(13)17(14)21/h5-10H,1-4H3
InChIKeyFONXJANEPXXXAL-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.59
Rot. Bonds2

About 1,3-bis(dimethylamino)anthracene-9,10-dione

1,3-bis(dimethylamino)anthracene-9,10-dione (PubChem CID 2833794) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1,3-bis(dimethylamino)anthracene-9,10-dione.

Molecular Properties

Compound Name1,3-bis(dimethylamino)anthracene-9,10-dione
PubChem CID2833794
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name1,3-bis(dimethylamino)anthracene-9,10-dione
SMILESCN(C)c1cc2c(c(N(C)C)c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C18H18N2O2/c1-19(2)11-9-14-16(15(10-11)20(3)4)18(22)13-8-6-5-7-12(13)17(14)21/h5-10H,1-4H3
InChIKeyFONXJANEPXXXAL-UHFFFAOYSA-N
XLogP2.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1,3-bis(dimethylamino)anthracene-9,10-dione?
The IUPAC name of 1,3-bis(dimethylamino)anthracene-9,10-dione (CID 2833794) is 1,3-bis(dimethylamino)anthracene-9,10-dione.
What is the SMILES notation for 1,3-bis(dimethylamino)anthracene-9,10-dione?
The canonical SMILES for 1,3-bis(dimethylamino)anthracene-9,10-dione is CN(C)c1cc2c(c(N(C)C)c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 1,3-bis(dimethylamino)anthracene-9,10-dione?
The InChIKey is FONXJANEPXXXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-19(2)11-9-14-16(15(10-11)20(3)4)18(22)13-8-6-5-7-12(13)17(14)21/h5-10H,1-4H3.
What are the key properties of 1,3-bis(dimethylamino)anthracene-9,10-dione?
1,3-bis(dimethylamino)anthracene-9,10-dione has a molecular weight of 294.35 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(dimethylamino)anthracene-9,10-dione is sourced from PubChem (CID 2833794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).