1-[2-[2-hydroxyethyl(methyl)amino]ethylamino]anthracene-9,10-dione

C19H20N2O3 — CID 11404554

IUPAC1-[2-[2-hydroxyethyl(methyl)amino]ethylamino]anthracene-9,10-dione
SMILESCN(CCO)CCNc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H20N2O3/c1-21(11-12-22)10-9-20-16-8-4-7-15-17(16)19(24)14-6-3-2-5-13(14)18(15)23/h2-8,20,22H,9-12H2,1H3
InChIKeyKBPJUKCBTJHJRY-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.80
Rot. Bonds6

About 1-[2-[2-hydroxyethyl(methyl)amino]ethylamino]anthracene-9,10-dione

1-[2-[2-hydroxyethyl(methyl)amino]ethylamino]anthracene-9,10-dione (PubChem CID 11404554) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[2-[2-hydroxyethyl(methyl)amino]ethylamino]anthracene-9,10-dione.

Molecular Properties

Compound Name1-[2-[2-hydroxyethyl(methyl)amino]ethylamino]anthracene-9,10-dione
PubChem CID11404554
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-[2-[2-hydroxyethyl(methyl)amino]ethylamino]anthracene-9,10-dione
SMILESCN(CCO)CCNc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H20N2O3/c1-21(11-12-22)10-9-20-16-8-4-7-15-17(16)19(24)14-6-3-2-5-13(14)18(15)23/h2-8,20,22H,9-12H2,1H3
InChIKeyKBPJUKCBTJHJRY-UHFFFAOYSA-N
XLogP1.80
TPSA69.64 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 ≤ 51.80
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-hydroxyethyl(methyl)amino]ethylamino]anthracene-9,10-dione?
The IUPAC name of 1-[2-[2-hydroxyethyl(methyl)amino]ethylamino]anthracene-9,10-dione (CID 11404554) is 1-[2-[2-hydroxyethyl(methyl)amino]ethylamino]anthracene-9,10-dione.
What is the SMILES notation for 1-[2-[2-hydroxyethyl(methyl)amino]ethylamino]anthracene-9,10-dione?
The canonical SMILES for 1-[2-[2-hydroxyethyl(methyl)amino]ethylamino]anthracene-9,10-dione is CN(CCO)CCNc1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-[2-[2-hydroxyethyl(methyl)amino]ethylamino]anthracene-9,10-dione?
The InChIKey is KBPJUKCBTJHJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-21(11-12-22)10-9-20-16-8-4-7-15-17(16)19(24)14-6-3-2-5-13(14)18(15)23/h2-8,20,22H,9-12H2,1H3.
What are the key properties of 1-[2-[2-hydroxyethyl(methyl)amino]ethylamino]anthracene-9,10-dione?
1-[2-[2-hydroxyethyl(methyl)amino]ethylamino]anthracene-9,10-dione has a molecular weight of 324.38 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-hydroxyethyl(methyl)amino]ethylamino]anthracene-9,10-dione is sourced from PubChem (CID 11404554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).