1-(5,5-dioxophenothiazin-10-yl)-2-naphthalen-2-yloxyethanone

C24H17NO4S — CID 66507131

IUPAC1-(5,5-dioxophenothiazin-10-yl)-2-naphthalen-2-yloxyethanone
SMILESO=C(COc1ccc2ccccc2c1)N1c2ccccc2S(=O)(=O)c2ccccc21
InChIInChI=1S/C24H17NO4S/c26-24(16-29-19-14-13-17-7-1-2-8-18(17)15-19)25-20-9-3-5-11-22(20)30(27,28)23-12-6-4-10-21(23)25/h1-15H,16H2
InChIKeyQLZLKUBIJNQUMT-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.73
Rot. Bonds3

About 1-(5,5-dioxophenothiazin-10-yl)-2-naphthalen-2-yloxyethanone

1-(5,5-dioxophenothiazin-10-yl)-2-naphthalen-2-yloxyethanone (PubChem CID 66507131) has the molecular formula C24H17NO4S and a molecular weight of 415.47 g/mol. Its IUPAC name is 1-(5,5-dioxophenothiazin-10-yl)-2-naphthalen-2-yloxyethanone.

Molecular Properties

Compound Name1-(5,5-dioxophenothiazin-10-yl)-2-naphthalen-2-yloxyethanone
PubChem CID66507131
Molecular FormulaC24H17NO4S
Molecular Weight415.47 g/mol
Exact Mass415.09
IUPAC Name1-(5,5-dioxophenothiazin-10-yl)-2-naphthalen-2-yloxyethanone
SMILESO=C(COc1ccc2ccccc2c1)N1c2ccccc2S(=O)(=O)c2ccccc21
InChIInChI=1S/C24H17NO4S/c26-24(16-29-19-14-13-17-7-1-2-8-18(17)15-19)25-20-9-3-5-11-22(20)30(27,28)23-12-6-4-10-21(23)25/h1-15H,16H2
InChIKeyQLZLKUBIJNQUMT-UHFFFAOYSA-N
XLogP4.73
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dioxophenothiazin-10-yl)-2-naphthalen-2-yloxyethanone?
The IUPAC name of 1-(5,5-dioxophenothiazin-10-yl)-2-naphthalen-2-yloxyethanone (CID 66507131) is 1-(5,5-dioxophenothiazin-10-yl)-2-naphthalen-2-yloxyethanone.
What is the SMILES notation for 1-(5,5-dioxophenothiazin-10-yl)-2-naphthalen-2-yloxyethanone?
The canonical SMILES for 1-(5,5-dioxophenothiazin-10-yl)-2-naphthalen-2-yloxyethanone is O=C(COc1ccc2ccccc2c1)N1c2ccccc2S(=O)(=O)c2ccccc21.
What is the InChIKey of 1-(5,5-dioxophenothiazin-10-yl)-2-naphthalen-2-yloxyethanone?
The InChIKey is QLZLKUBIJNQUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO4S/c26-24(16-29-19-14-13-17-7-1-2-8-18(17)15-19)25-20-9-3-5-11-22(20)30(27,28)23-12-6-4-10-21(23)25/h1-15H,16H2.
What are the key properties of 1-(5,5-dioxophenothiazin-10-yl)-2-naphthalen-2-yloxyethanone?
1-(5,5-dioxophenothiazin-10-yl)-2-naphthalen-2-yloxyethanone has a molecular weight of 415.47 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dioxophenothiazin-10-yl)-2-naphthalen-2-yloxyethanone is sourced from PubChem (CID 66507131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).