1-(ethylamino)-5-(2-methoxyethylamino)anthracene-9,10-dione

C19H20N2O3 — CID 140546336

IUPAC1-(ethylamino)-5-(2-methoxyethylamino)anthracene-9,10-dione
SMILESCCNc1cccc2c1C(=O)c1cccc(NCCOC)c1C2=O
InChIInChI=1S/C19H20N2O3/c1-3-20-14-8-4-6-12-16(14)18(22)13-7-5-9-15(17(13)19(12)23)21-10-11-24-2/h4-9,20-21H,3,10-11H2,1-2H3
InChIKeyZBPYZMGUSNTIMR-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.95
Rot. Bonds6

About 1-(ethylamino)-5-(2-methoxyethylamino)anthracene-9,10-dione

1-(ethylamino)-5-(2-methoxyethylamino)anthracene-9,10-dione (PubChem CID 140546336) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(ethylamino)-5-(2-methoxyethylamino)anthracene-9,10-dione.

Molecular Properties

Compound Name1-(ethylamino)-5-(2-methoxyethylamino)anthracene-9,10-dione
PubChem CID140546336
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-(ethylamino)-5-(2-methoxyethylamino)anthracene-9,10-dione
SMILESCCNc1cccc2c1C(=O)c1cccc(NCCOC)c1C2=O
InChIInChI=1S/C19H20N2O3/c1-3-20-14-8-4-6-12-16(14)18(22)13-7-5-9-15(17(13)19(12)23)21-10-11-24-2/h4-9,20-21H,3,10-11H2,1-2H3
InChIKeyZBPYZMGUSNTIMR-UHFFFAOYSA-N
XLogP2.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-5-(2-methoxyethylamino)anthracene-9,10-dione?
The IUPAC name of 1-(ethylamino)-5-(2-methoxyethylamino)anthracene-9,10-dione (CID 140546336) is 1-(ethylamino)-5-(2-methoxyethylamino)anthracene-9,10-dione.
What is the SMILES notation for 1-(ethylamino)-5-(2-methoxyethylamino)anthracene-9,10-dione?
The canonical SMILES for 1-(ethylamino)-5-(2-methoxyethylamino)anthracene-9,10-dione is CCNc1cccc2c1C(=O)c1cccc(NCCOC)c1C2=O.
What is the InChIKey of 1-(ethylamino)-5-(2-methoxyethylamino)anthracene-9,10-dione?
The InChIKey is ZBPYZMGUSNTIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-20-14-8-4-6-12-16(14)18(22)13-7-5-9-15(17(13)19(12)23)21-10-11-24-2/h4-9,20-21H,3,10-11H2,1-2H3.
What are the key properties of 1-(ethylamino)-5-(2-methoxyethylamino)anthracene-9,10-dione?
1-(ethylamino)-5-(2-methoxyethylamino)anthracene-9,10-dione has a molecular weight of 324.38 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-5-(2-methoxyethylamino)anthracene-9,10-dione is sourced from PubChem (CID 140546336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).