4-[2-(dimethylamino)ethylamino]-7-[2-(dimethylamino)ethyl-[2-(methylamino)ethyl]amino]-12,15-dihydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2,9-dione

C26H37N5O4 — CID 143201540

IUPAC4-[2-(dimethylamino)ethylamino]-7-[2-(dimethylamino)ethyl-[2-(methylamino)ethyl]amino]-12,15-dihydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2,9-dione
SMILESCNCCN(CCN(C)C)c1ccc(NCCN(C)C)c2c1C(=O)Cc1c(O)ccc(O)c1C2=O
InChIInChI=1S/C26H37N5O4/c1-27-10-13-31(15-14-30(4)5)19-7-6-18(28-11-12-29(2)3)24-25(19)22(34)16-17-20(32)8-9-21(33)23(17)26(24)35/h6-9,27-28,32-33H,10-16H2,1-5H3
InChIKeyOOVCBLJMGFEJNC-UHFFFAOYSA-N
MW483.61 g/mol
LogP1.63
Rot. Bonds11

About 4-[2-(dimethylamino)ethylamino]-7-[2-(dimethylamino)ethyl-[2-(methylamino)ethyl]amino]-12,15-dihydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2,9-dione

4-[2-(dimethylamino)ethylamino]-7-[2-(dimethylamino)ethyl-[2-(methylamino)ethyl]amino]-12,15-dihydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2,9-dione (PubChem CID 143201540) has the molecular formula C26H37N5O4 and a molecular weight of 483.61 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethylamino]-7-[2-(dimethylamino)ethyl-[2-(methylamino)ethyl]amino]-12,15-dihydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2,9-dione.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethylamino]-7-[2-(dimethylamino)ethyl-[2-(methylamino)ethyl]amino]-12,15-dihydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2,9-dione
PubChem CID143201540
Molecular FormulaC26H37N5O4
Molecular Weight483.61 g/mol
Exact Mass483.28
IUPAC Name4-[2-(dimethylamino)ethylamino]-7-[2-(dimethylamino)ethyl-[2-(methylamino)ethyl]amino]-12,15-dihydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2,9-dione
SMILESCNCCN(CCN(C)C)c1ccc(NCCN(C)C)c2c1C(=O)Cc1c(O)ccc(O)c1C2=O
InChIInChI=1S/C26H37N5O4/c1-27-10-13-31(15-14-30(4)5)19-7-6-18(28-11-12-29(2)3)24-25(19)22(34)16-17-20(32)8-9-21(33)23(17)26(24)35/h6-9,27-28,32-33H,10-16H2,1-5H3
InChIKeyOOVCBLJMGFEJNC-UHFFFAOYSA-N
XLogP1.63
TPSA108.38 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-[2-(dimethylamino)ethylamino]-7-[2-(dimethylamino)ethyl-[2-(methylamino)ethyl]amino]-12,15-dihydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2,9-dione with MolForge

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Related Compounds

1-[2-(dimethylamino)ethylamino]-4-hydroxy-5-[2-(methylamino)ethylamino]anthracene-9,10-dione
CID 90135956
1,5-dihydroxy-4,8-bis[2-(methylamino)ethylamino]anthracene-9,10-dione
CID 54278326
1,5-bis[2-[bis(trideuteriomethyl)amino]ethylamino]-4,8-dihydroxyanthracene-9,10-dione
CID 73296255
[1,6-diamino-6-[2-[2-[2-[2-[[5-[2-(dimethylamino)ethylamino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethoxy]ethoxy]ethoxy]ethylazaniumylidene]hexylidene]-[2-[2-[2-[2-[[5-[2-(dimethylamino)ethylamino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]azanium
CID 140664445
4-[[2-[[4-[2-(dimethylamino)ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethyl-dimethylazaniumyl]methyl]-N-hydroxybenzeneamine oxide;hydrochloride
CID 21143616
1-[[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]amino]-5-[2-(dimethylamino)ethylamino]-4,8-dihydroxyanthracene-9,10-dione
CID 129189561
N'-[2-[[4,8-dihydroxy-5-[2-(methylamino)ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethyl]methanimidamide
CID 89036822
[5-(acetyloxymethoxy)-4,8-bis[2-(dimethylamino)ethylamino]-9,10-dioxoanthracen-1-yl]oxymethyl acetate
CID 66558433
1,4-bis[2-(dimethylamino)propylamino]-5,8-dihydroxyanthracene-9,10-dione
CID 122197323
2-[[4,8-dihydroxy-9,10-dioxo-5-[2-(trimethylazaniumyl)ethylamino]anthracen-1-yl]amino]ethyl-trimethylazanium diiodide
CID 53472810
2-amino-N-[2-[[4-[2-[(2-aminoacetyl)-(2-hydroxyethyl)amino]ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethyl]-N-(2-hydroxyethyl)acetamide
CID 14128465
2-[[4-[2-[dimethyl(oxido)azaniumyl]ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]-N,N-dimethylethanamine oxide;hydrochloride
CID 11719962

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethylamino]-7-[2-(dimethylamino)ethyl-[2-(methylamino)ethyl]amino]-12,15-dihydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2,9-dione?
The IUPAC name of 4-[2-(dimethylamino)ethylamino]-7-[2-(dimethylamino)ethyl-[2-(methylamino)ethyl]amino]-12,15-dihydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2,9-dione (CID 143201540) is 4-[2-(dimethylamino)ethylamino]-7-[2-(dimethylamino)ethyl-[2-(methylamino)ethyl]amino]-12,15-dihydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2,9-dione.
What is the SMILES notation for 4-[2-(dimethylamino)ethylamino]-7-[2-(dimethylamino)ethyl-[2-(methylamino)ethyl]amino]-12,15-dihydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2,9-dione?
The canonical SMILES for 4-[2-(dimethylamino)ethylamino]-7-[2-(dimethylamino)ethyl-[2-(methylamino)ethyl]amino]-12,15-dihydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2,9-dione is CNCCN(CCN(C)C)c1ccc(NCCN(C)C)c2c1C(=O)Cc1c(O)ccc(O)c1C2=O.
What is the InChIKey of 4-[2-(dimethylamino)ethylamino]-7-[2-(dimethylamino)ethyl-[2-(methylamino)ethyl]amino]-12,15-dihydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2,9-dione?
The InChIKey is OOVCBLJMGFEJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O4/c1-27-10-13-31(15-14-30(4)5)19-7-6-18(28-11-12-29(2)3)24-25(19)22(34)16-17-20(32)8-9-21(33)23(17)26(24)35/h6-9,27-28,32-33H,10-16H2,1-5H3.
What are the key properties of 4-[2-(dimethylamino)ethylamino]-7-[2-(dimethylamino)ethyl-[2-(methylamino)ethyl]amino]-12,15-dihydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2,9-dione?
4-[2-(dimethylamino)ethylamino]-7-[2-(dimethylamino)ethyl-[2-(methylamino)ethyl]amino]-12,15-dihydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2,9-dione has a molecular weight of 483.61 g/mol, XLogP of 1.63, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethylamino]-7-[2-(dimethylamino)ethyl-[2-(methylamino)ethyl]amino]-12,15-dihydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2,9-dione is sourced from PubChem (CID 143201540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).