2-(7-methoxy-9H-thioxanthen-4-yl)-6-morpholin-4-ylpyran-4-one

C23H21NO4S — CID 162524846

IUPAC2-(7-methoxy-9H-thioxanthen-4-yl)-6-morpholin-4-ylpyran-4-one
SMILESCOc1ccc2c(c1)Cc1cccc(-c3cc(=O)cc(N4CCOCC4)o3)c1S2
InChIInChI=1S/C23H21NO4S/c1-26-18-5-6-21-16(12-18)11-15-3-2-4-19(23(15)29-21)20-13-17(25)14-22(28-20)24-7-9-27-10-8-24/h2-6,12-14H,7-11H2,1H3
InChIKeyCIZOSCVUGRBXEZ-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.21
Rot. Bonds3

About 2-(7-methoxy-9H-thioxanthen-4-yl)-6-morpholin-4-ylpyran-4-one

2-(7-methoxy-9H-thioxanthen-4-yl)-6-morpholin-4-ylpyran-4-one (PubChem CID 162524846) has the molecular formula C23H21NO4S and a molecular weight of 407.49 g/mol. Its IUPAC name is 2-(7-methoxy-9H-thioxanthen-4-yl)-6-morpholin-4-ylpyran-4-one.

Molecular Properties

Compound Name2-(7-methoxy-9H-thioxanthen-4-yl)-6-morpholin-4-ylpyran-4-one
PubChem CID162524846
Molecular FormulaC23H21NO4S
Molecular Weight407.49 g/mol
Exact Mass407.12
IUPAC Name2-(7-methoxy-9H-thioxanthen-4-yl)-6-morpholin-4-ylpyran-4-one
SMILESCOc1ccc2c(c1)Cc1cccc(-c3cc(=O)cc(N4CCOCC4)o3)c1S2
InChIInChI=1S/C23H21NO4S/c1-26-18-5-6-21-16(12-18)11-15-3-2-4-19(23(15)29-21)20-13-17(25)14-22(28-20)24-7-9-27-10-8-24/h2-6,12-14H,7-11H2,1H3
InChIKeyCIZOSCVUGRBXEZ-UHFFFAOYSA-N
XLogP4.21
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-9H-thioxanthen-4-yl)-6-morpholin-4-ylpyran-4-one?
The IUPAC name of 2-(7-methoxy-9H-thioxanthen-4-yl)-6-morpholin-4-ylpyran-4-one (CID 162524846) is 2-(7-methoxy-9H-thioxanthen-4-yl)-6-morpholin-4-ylpyran-4-one.
What is the SMILES notation for 2-(7-methoxy-9H-thioxanthen-4-yl)-6-morpholin-4-ylpyran-4-one?
The canonical SMILES for 2-(7-methoxy-9H-thioxanthen-4-yl)-6-morpholin-4-ylpyran-4-one is COc1ccc2c(c1)Cc1cccc(-c3cc(=O)cc(N4CCOCC4)o3)c1S2.
What is the InChIKey of 2-(7-methoxy-9H-thioxanthen-4-yl)-6-morpholin-4-ylpyran-4-one?
The InChIKey is CIZOSCVUGRBXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4S/c1-26-18-5-6-21-16(12-18)11-15-3-2-4-19(23(15)29-21)20-13-17(25)14-22(28-20)24-7-9-27-10-8-24/h2-6,12-14H,7-11H2,1H3.
What are the key properties of 2-(7-methoxy-9H-thioxanthen-4-yl)-6-morpholin-4-ylpyran-4-one?
2-(7-methoxy-9H-thioxanthen-4-yl)-6-morpholin-4-ylpyran-4-one has a molecular weight of 407.49 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-9H-thioxanthen-4-yl)-6-morpholin-4-ylpyran-4-one is sourced from PubChem (CID 162524846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).