1,4-diamino-5-(2-morpholin-4-ylethylamino)anthracene-9,10-dione

C20H22N4O3 — CID 135182847

IUPAC1,4-diamino-5-(2-morpholin-4-ylethylamino)anthracene-9,10-dione
SMILESNc1ccc(N)c2c1C(=O)c1cccc(NCCN3CCOCC3)c1C2=O
InChIInChI=1S/C20H22N4O3/c21-13-4-5-14(22)18-17(13)19(25)12-2-1-3-15(16(12)20(18)26)23-6-7-24-8-10-27-11-9-24/h1-5,23H,6-11,21-22H2
InChIKeyACXYJGJFXXNGQR-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.37
Rot. Bonds4

About 1,4-diamino-5-(2-morpholin-4-ylethylamino)anthracene-9,10-dione

1,4-diamino-5-(2-morpholin-4-ylethylamino)anthracene-9,10-dione (PubChem CID 135182847) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1,4-diamino-5-(2-morpholin-4-ylethylamino)anthracene-9,10-dione.

Molecular Properties

Compound Name1,4-diamino-5-(2-morpholin-4-ylethylamino)anthracene-9,10-dione
PubChem CID135182847
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name1,4-diamino-5-(2-morpholin-4-ylethylamino)anthracene-9,10-dione
SMILESNc1ccc(N)c2c1C(=O)c1cccc(NCCN3CCOCC3)c1C2=O
InChIInChI=1S/C20H22N4O3/c21-13-4-5-14(22)18-17(13)19(25)12-2-1-3-15(16(12)20(18)26)23-6-7-24-8-10-27-11-9-24/h1-5,23H,6-11,21-22H2
InChIKeyACXYJGJFXXNGQR-UHFFFAOYSA-N
XLogP1.37
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1,4-diamino-5-(2-morpholin-4-ylethylamino)anthracene-9,10-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-morpholin-4-ylethylamino)anthracene-9,10-dione
CID 3959118
1,4-diamino-5-(3-piperidin-1-ylpropylamino)anthracene-9,10-dione
CID 135182843
1,5-bis(2-piperidin-1-ylethylamino)anthracene-9,10-dione
CID 14320115
3-morpholin-4-yl-N-[5-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-1-yl]propanamide
CID 10815829
2-amino-3-(2-morpholin-4-ylethylamino)benzamide
CID 113332479
2-methylsulfonyl-N-(2-morpholin-4-ylethyl)aniline
CID 43388034
2,3-dichloro-N-(2-morpholin-4-ylethyl)aniline
CID 28774944
ethane;1-fluoro-4-(3-morpholin-4-ylpropylamino)anthracene-9,10-dione
CID 144958240
4-methylsulfonyl-1-N-(2-morpholin-4-ylethyl)benzene-1,2-diamine
CID 43448000
1-[[(2S)-3-chloro-2-hydroxypropyl]amino]-4-(3-morpholin-4-ylpropylamino)anthracene-9,10-dione
CID 118498985
1,4-dihydroxy-5,8-bis[2-(1,3-oxazolidin-3-yl)ethylamino]anthracene-9,10-dione
CID 15585624
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

Frequently Asked Questions

What is the IUPAC name of 1,4-diamino-5-(2-morpholin-4-ylethylamino)anthracene-9,10-dione?
The IUPAC name of 1,4-diamino-5-(2-morpholin-4-ylethylamino)anthracene-9,10-dione (CID 135182847) is 1,4-diamino-5-(2-morpholin-4-ylethylamino)anthracene-9,10-dione.
What is the SMILES notation for 1,4-diamino-5-(2-morpholin-4-ylethylamino)anthracene-9,10-dione?
The canonical SMILES for 1,4-diamino-5-(2-morpholin-4-ylethylamino)anthracene-9,10-dione is Nc1ccc(N)c2c1C(=O)c1cccc(NCCN3CCOCC3)c1C2=O.
What is the InChIKey of 1,4-diamino-5-(2-morpholin-4-ylethylamino)anthracene-9,10-dione?
The InChIKey is ACXYJGJFXXNGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c21-13-4-5-14(22)18-17(13)19(25)12-2-1-3-15(16(12)20(18)26)23-6-7-24-8-10-27-11-9-24/h1-5,23H,6-11,21-22H2.
What are the key properties of 1,4-diamino-5-(2-morpholin-4-ylethylamino)anthracene-9,10-dione?
1,4-diamino-5-(2-morpholin-4-ylethylamino)anthracene-9,10-dione has a molecular weight of 366.42 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diamino-5-(2-morpholin-4-ylethylamino)anthracene-9,10-dione is sourced from PubChem (CID 135182847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).