1-(2-morpholin-4-ylethylamino)anthracene-9,10-dione

C20H20N2O3 — CID 3959118

IUPAC1-(2-morpholin-4-ylethylamino)anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c(NCCN3CCOCC3)cccc21
InChIInChI=1S/C20H20N2O3/c23-19-14-4-1-2-5-15(14)20(24)18-16(19)6-3-7-17(18)21-8-9-22-10-12-25-13-11-22/h1-7,21H,8-13H2
InChIKeyPMSJQWSSPGQEJD-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.21
Rot. Bonds4

About 1-(2-morpholin-4-ylethylamino)anthracene-9,10-dione

1-(2-morpholin-4-ylethylamino)anthracene-9,10-dione (PubChem CID 3959118) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethylamino)anthracene-9,10-dione.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethylamino)anthracene-9,10-dione
PubChem CID3959118
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name1-(2-morpholin-4-ylethylamino)anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c(NCCN3CCOCC3)cccc21
InChIInChI=1S/C20H20N2O3/c23-19-14-4-1-2-5-15(14)20(24)18-16(19)6-3-7-17(18)21-8-9-22-10-12-25-13-11-22/h1-7,21H,8-13H2
InChIKeyPMSJQWSSPGQEJD-UHFFFAOYSA-N
XLogP2.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
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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Related Compounds

1,4-diamino-5-(2-morpholin-4-ylethylamino)anthracene-9,10-dione
CID 135182847
1,5-bis(2-piperidin-1-ylethylamino)anthracene-9,10-dione
CID 14320115
1-[3-[3-[3-[3-[3-[(9,10-dioxoanthracen-1-yl)amino]propyl]imidazolidin-1-yl]propyl]imidazolidin-1-yl]propylamino]anthracene-9,10-dione
CID 20579889
3-morpholin-4-yl-N-[5-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-1-yl]propanamide
CID 10815829
ethane;1-fluoro-4-(3-morpholin-4-ylpropylamino)anthracene-9,10-dione
CID 144958240
2-methylsulfonyl-N-(2-morpholin-4-ylethyl)aniline
CID 43388034
1-[[(2S)-3-chloro-2-hydroxypropyl]amino]-4-(3-morpholin-4-ylpropylamino)anthracene-9,10-dione
CID 118498985
N-(3-morpholin-4-ylpropyl)-9-oxofluorene-4-carboxamide
CID 2818270
2,3-dichloro-N-(2-morpholin-4-ylethyl)aniline
CID 28774944
1-[2-[2-(chloromethyl)pyrrolidin-1-yl]ethylamino]anthracene-9,10-dione;hydrochloride
CID 11994254
2-methyl-N-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide
CID 1179676
1-(2,2,2-trifluoroethylamino)anthracene-9,10-dione
CID 154105166

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethylamino)anthracene-9,10-dione?
The IUPAC name of 1-(2-morpholin-4-ylethylamino)anthracene-9,10-dione (CID 3959118) is 1-(2-morpholin-4-ylethylamino)anthracene-9,10-dione.
What is the SMILES notation for 1-(2-morpholin-4-ylethylamino)anthracene-9,10-dione?
The canonical SMILES for 1-(2-morpholin-4-ylethylamino)anthracene-9,10-dione is O=C1c2ccccc2C(=O)c2c(NCCN3CCOCC3)cccc21.
What is the InChIKey of 1-(2-morpholin-4-ylethylamino)anthracene-9,10-dione?
The InChIKey is PMSJQWSSPGQEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-19-14-4-1-2-5-15(14)20(24)18-16(19)6-3-7-17(18)21-8-9-22-10-12-25-13-11-22/h1-7,21H,8-13H2.
What are the key properties of 1-(2-morpholin-4-ylethylamino)anthracene-9,10-dione?
1-(2-morpholin-4-ylethylamino)anthracene-9,10-dione has a molecular weight of 336.39 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethylamino)anthracene-9,10-dione is sourced from PubChem (CID 3959118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).