1-methyl-4-morpholin-4-ylanthracene-9,10-dione

C19H17NO3 — CID 3544983

IUPAC1-methyl-4-morpholin-4-ylanthracene-9,10-dione
SMILESCc1ccc(N2CCOCC2)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H17NO3/c1-12-6-7-15(20-8-10-23-11-9-20)17-16(12)18(21)13-4-2-3-5-14(13)19(17)22/h2-7H,8-11H2,1H3
InChIKeyCFDWVLUCOSBPRG-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.61
Rot. Bonds1

About 1-methyl-4-morpholin-4-ylanthracene-9,10-dione

1-methyl-4-morpholin-4-ylanthracene-9,10-dione (PubChem CID 3544983) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-methyl-4-morpholin-4-ylanthracene-9,10-dione.

Molecular Properties

Compound Name1-methyl-4-morpholin-4-ylanthracene-9,10-dione
PubChem CID3544983
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name1-methyl-4-morpholin-4-ylanthracene-9,10-dione
SMILESCc1ccc(N2CCOCC2)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H17NO3/c1-12-6-7-15(20-8-10-23-11-9-20)17-16(12)18(21)13-4-2-3-5-14(13)19(17)22/h2-7H,8-11H2,1H3
InChIKeyCFDWVLUCOSBPRG-UHFFFAOYSA-N
XLogP2.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methyl-4-morpholin-4-ylanthracene-9,10-dione?
The IUPAC name of 1-methyl-4-morpholin-4-ylanthracene-9,10-dione (CID 3544983) is 1-methyl-4-morpholin-4-ylanthracene-9,10-dione.
What is the SMILES notation for 1-methyl-4-morpholin-4-ylanthracene-9,10-dione?
The canonical SMILES for 1-methyl-4-morpholin-4-ylanthracene-9,10-dione is Cc1ccc(N2CCOCC2)c2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-methyl-4-morpholin-4-ylanthracene-9,10-dione?
The InChIKey is CFDWVLUCOSBPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-12-6-7-15(20-8-10-23-11-9-20)17-16(12)18(21)13-4-2-3-5-14(13)19(17)22/h2-7H,8-11H2,1H3.
What are the key properties of 1-methyl-4-morpholin-4-ylanthracene-9,10-dione?
1-methyl-4-morpholin-4-ylanthracene-9,10-dione has a molecular weight of 307.35 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-morpholin-4-ylanthracene-9,10-dione is sourced from PubChem (CID 3544983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).