1-chloro-5-morpholin-4-ylanthracene-9,10-dione

C18H14ClNO3 — CID 2917033

IUPAC1-chloro-5-morpholin-4-ylanthracene-9,10-dione
SMILESO=C1c2cccc(N3CCOCC3)c2C(=O)c2cccc(Cl)c21
InChIInChI=1S/C18H14ClNO3/c19-13-5-1-3-11-15(13)17(21)12-4-2-6-14(16(12)18(11)22)20-7-9-23-10-8-20/h1-6H,7-10H2
InChIKeyFYEIISBXUVORPE-UHFFFAOYSA-N
MW327.77 g/mol
LogP2.95
Rot. Bonds1

About 1-chloro-5-morpholin-4-ylanthracene-9,10-dione

1-chloro-5-morpholin-4-ylanthracene-9,10-dione (PubChem CID 2917033) has the molecular formula C18H14ClNO3 and a molecular weight of 327.77 g/mol. Its IUPAC name is 1-chloro-5-morpholin-4-ylanthracene-9,10-dione.

Molecular Properties

Compound Name1-chloro-5-morpholin-4-ylanthracene-9,10-dione
PubChem CID2917033
Molecular FormulaC18H14ClNO3
Molecular Weight327.77 g/mol
Exact Mass327.07
IUPAC Name1-chloro-5-morpholin-4-ylanthracene-9,10-dione
SMILESO=C1c2cccc(N3CCOCC3)c2C(=O)c2cccc(Cl)c21
InChIInChI=1S/C18H14ClNO3/c19-13-5-1-3-11-15(13)17(21)12-4-2-6-14(16(12)18(11)22)20-7-9-23-10-8-20/h1-6H,7-10H2
InChIKeyFYEIISBXUVORPE-UHFFFAOYSA-N
XLogP2.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 52.95
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-chloro-5-morpholin-4-ylanthracene-9,10-dione?
The IUPAC name of 1-chloro-5-morpholin-4-ylanthracene-9,10-dione (CID 2917033) is 1-chloro-5-morpholin-4-ylanthracene-9,10-dione.
What is the SMILES notation for 1-chloro-5-morpholin-4-ylanthracene-9,10-dione?
The canonical SMILES for 1-chloro-5-morpholin-4-ylanthracene-9,10-dione is O=C1c2cccc(N3CCOCC3)c2C(=O)c2cccc(Cl)c21.
What is the InChIKey of 1-chloro-5-morpholin-4-ylanthracene-9,10-dione?
The InChIKey is FYEIISBXUVORPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3/c19-13-5-1-3-11-15(13)17(21)12-4-2-6-14(16(12)18(11)22)20-7-9-23-10-8-20/h1-6H,7-10H2.
What are the key properties of 1-chloro-5-morpholin-4-ylanthracene-9,10-dione?
1-chloro-5-morpholin-4-ylanthracene-9,10-dione has a molecular weight of 327.77 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-morpholin-4-ylanthracene-9,10-dione is sourced from PubChem (CID 2917033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).