3-morpholin-4-yl-N-[6-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-2-yl]propanamide

C28H32N4O6 — CID 15162831

IUPAC3-morpholin-4-yl-N-[6-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-2-yl]propanamide
SMILESO=C(CCN1CCOCC1)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN3CCOCC3)cc1C2=O
InChIInChI=1S/C28H32N4O6/c33-25(5-7-31-9-13-37-14-10-31)29-19-1-3-21-23(17-19)28(36)22-4-2-20(18-24(22)27(21)35)30-26(34)6-8-32-11-15-38-16-12-32/h1-4,17-18H,5-16H2,(H,29,33)(H,30,34)
InChIKeyMNNVTJGXKLOOHK-UHFFFAOYSA-N
MW520.59 g/mol
LogP1.78
Rot. Bonds8

About 3-morpholin-4-yl-N-[6-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-2-yl]propanamide

3-morpholin-4-yl-N-[6-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-2-yl]propanamide (PubChem CID 15162831) has the molecular formula C28H32N4O6 and a molecular weight of 520.59 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[6-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-2-yl]propanamide.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[6-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-2-yl]propanamide
PubChem CID15162831
Molecular FormulaC28H32N4O6
Molecular Weight520.59 g/mol
Exact Mass520.23
IUPAC Name3-morpholin-4-yl-N-[6-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-2-yl]propanamide
SMILESO=C(CCN1CCOCC1)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN3CCOCC3)cc1C2=O
InChIInChI=1S/C28H32N4O6/c33-25(5-7-31-9-13-37-14-10-31)29-19-1-3-21-23(17-19)28(36)22-4-2-20(18-24(22)27(21)35)30-26(34)6-8-32-11-15-38-16-12-32/h1-4,17-18H,5-16H2,(H,29,33)(H,30,34)
InChIKeyMNNVTJGXKLOOHK-UHFFFAOYSA-N
XLogP1.78
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.59
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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1,5-Bis(3-(diethylamino)propionamido)anthracene-9,10-dione
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9,10-Anthracenedione, 1,4-bis((3-(4-morpholinyl)propyl)amino)-
CID 386271
2,7-Bis[3-(Dimethylamino)Propionamido]Anthraquinone
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2,7-Bis[3-(pyrrolidino)propionamido]anthraquinone
CID 10719801
2,7-Bis[3-(Diethylamino)Propionamido]Anthraquinone
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2,7-Bis[3-(piperazino)propionamido]anthraquinone
CID 44242845

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[6-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-2-yl]propanamide?
The IUPAC name of 3-morpholin-4-yl-N-[6-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-2-yl]propanamide (CID 15162831) is 3-morpholin-4-yl-N-[6-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-2-yl]propanamide.
What is the SMILES notation for 3-morpholin-4-yl-N-[6-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-2-yl]propanamide?
The canonical SMILES for 3-morpholin-4-yl-N-[6-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-2-yl]propanamide is O=C(CCN1CCOCC1)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN3CCOCC3)cc1C2=O.
What is the InChIKey of 3-morpholin-4-yl-N-[6-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-2-yl]propanamide?
The InChIKey is MNNVTJGXKLOOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O6/c33-25(5-7-31-9-13-37-14-10-31)29-19-1-3-21-23(17-19)28(36)22-4-2-20(18-24(22)27(21)35)30-26(34)6-8-32-11-15-38-16-12-32/h1-4,17-18H,5-16H2,(H,29,33)(H,30,34).
What are the key properties of 3-morpholin-4-yl-N-[6-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-2-yl]propanamide?
3-morpholin-4-yl-N-[6-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-2-yl]propanamide has a molecular weight of 520.59 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[6-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-2-yl]propanamide is sourced from PubChem (CID 15162831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).