2-(10H-phenothiazin-3-yl)isoindole-1,3-dione

C20H12N2O2S — CID 11152113

IUPAC2-(10H-phenothiazin-3-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc2c(c1)Sc1ccccc1N2
InChIInChI=1S/C20H12N2O2S/c23-19-13-5-1-2-6-14(13)20(24)22(19)12-9-10-16-18(11-12)25-17-8-4-3-7-15(17)21-16/h1-11,21H
InChIKeyQTYUGPAXUKZPPA-UHFFFAOYSA-N
MW344.40 g/mol
LogP4.70
Rot. Bonds1

About 2-(10H-phenothiazin-3-yl)isoindole-1,3-dione

2-(10H-phenothiazin-3-yl)isoindole-1,3-dione (PubChem CID 11152113) has the molecular formula C20H12N2O2S and a molecular weight of 344.40 g/mol. Its IUPAC name is 2-(10H-phenothiazin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(10H-phenothiazin-3-yl)isoindole-1,3-dione
PubChem CID11152113
Molecular FormulaC20H12N2O2S
Molecular Weight344.40 g/mol
Exact Mass344.06
IUPAC Name2-(10H-phenothiazin-3-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc2c(c1)Sc1ccccc1N2
InChIInChI=1S/C20H12N2O2S/c23-19-13-5-1-2-6-14(13)20(24)22(19)12-9-10-16-18(11-12)25-17-8-4-3-7-15(17)21-16/h1-11,21H
InChIKeyQTYUGPAXUKZPPA-UHFFFAOYSA-N
XLogP4.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(10H-phenothiazin-3-yl)isoindole-1,3-dione?
The IUPAC name of 2-(10H-phenothiazin-3-yl)isoindole-1,3-dione (CID 11152113) is 2-(10H-phenothiazin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(10H-phenothiazin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(10H-phenothiazin-3-yl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccc2c(c1)Sc1ccccc1N2.
What is the InChIKey of 2-(10H-phenothiazin-3-yl)isoindole-1,3-dione?
The InChIKey is QTYUGPAXUKZPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2O2S/c23-19-13-5-1-2-6-14(13)20(24)22(19)12-9-10-16-18(11-12)25-17-8-4-3-7-15(17)21-16/h1-11,21H.
What are the key properties of 2-(10H-phenothiazin-3-yl)isoindole-1,3-dione?
2-(10H-phenothiazin-3-yl)isoindole-1,3-dione has a molecular weight of 344.40 g/mol, XLogP of 4.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10H-phenothiazin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 11152113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).