1,3-dimethoxy-6-morpholin-2-ylanthracene-9,10-dione

C20H19NO5 — CID 174744857

IUPAC1,3-dimethoxy-6-morpholin-2-ylanthracene-9,10-dione
SMILESCOc1cc(OC)c2c(c1)C(=O)c1cc(C3CNCCO3)ccc1C2=O
InChIInChI=1S/C20H19NO5/c1-24-12-8-15-18(16(9-12)25-2)20(23)13-4-3-11(7-14(13)19(15)22)17-10-21-5-6-26-17/h3-4,7-9,17,21H,5-6,10H2,1-2H3
InChIKeyIJMVRKHNHXXNQI-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.14
Rot. Bonds3

About 1,3-dimethoxy-6-morpholin-2-ylanthracene-9,10-dione

1,3-dimethoxy-6-morpholin-2-ylanthracene-9,10-dione (PubChem CID 174744857) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is 1,3-dimethoxy-6-morpholin-2-ylanthracene-9,10-dione.

Molecular Properties

Compound Name1,3-dimethoxy-6-morpholin-2-ylanthracene-9,10-dione
PubChem CID174744857
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name1,3-dimethoxy-6-morpholin-2-ylanthracene-9,10-dione
SMILESCOc1cc(OC)c2c(c1)C(=O)c1cc(C3CNCCO3)ccc1C2=O
InChIInChI=1S/C20H19NO5/c1-24-12-8-15-18(16(9-12)25-2)20(23)13-4-3-11(7-14(13)19(15)22)17-10-21-5-6-26-17/h3-4,7-9,17,21H,5-6,10H2,1-2H3
InChIKeyIJMVRKHNHXXNQI-UHFFFAOYSA-N
XLogP2.14
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-6-morpholin-2-ylanthracene-9,10-dione?
The IUPAC name of 1,3-dimethoxy-6-morpholin-2-ylanthracene-9,10-dione (CID 174744857) is 1,3-dimethoxy-6-morpholin-2-ylanthracene-9,10-dione.
What is the SMILES notation for 1,3-dimethoxy-6-morpholin-2-ylanthracene-9,10-dione?
The canonical SMILES for 1,3-dimethoxy-6-morpholin-2-ylanthracene-9,10-dione is COc1cc(OC)c2c(c1)C(=O)c1cc(C3CNCCO3)ccc1C2=O.
What is the InChIKey of 1,3-dimethoxy-6-morpholin-2-ylanthracene-9,10-dione?
The InChIKey is IJMVRKHNHXXNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-24-12-8-15-18(16(9-12)25-2)20(23)13-4-3-11(7-14(13)19(15)22)17-10-21-5-6-26-17/h3-4,7-9,17,21H,5-6,10H2,1-2H3.
What are the key properties of 1,3-dimethoxy-6-morpholin-2-ylanthracene-9,10-dione?
1,3-dimethoxy-6-morpholin-2-ylanthracene-9,10-dione has a molecular weight of 353.37 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-6-morpholin-2-ylanthracene-9,10-dione is sourced from PubChem (CID 174744857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).