7-methyl-1,1-dioxo-4H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione

C12H8N2O4S — CID 11608807

IUPAC7-methyl-1,1-dioxo-4H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione
SMILESCc1ccc2c(n1)C(=O)C1=C(C2=O)S(=O)(=O)C=CN1
InChIInChI=1S/C12H8N2O4S/c1-6-2-3-7-8(14-6)11(16)9-12(10(7)15)19(17,18)5-4-13-9/h2-5,13H,1H3
InChIKeyZCRIPMBMRAPAQN-UHFFFAOYSA-N
MW276.27 g/mol
LogP0.47
Rot. Bonds

About 7-methyl-1,1-dioxo-4H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione

7-methyl-1,1-dioxo-4H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione (PubChem CID 11608807) has the molecular formula C12H8N2O4S and a molecular weight of 276.27 g/mol. Its IUPAC name is 7-methyl-1,1-dioxo-4H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione.

Molecular Properties

Compound Name7-methyl-1,1-dioxo-4H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione
PubChem CID11608807
Molecular FormulaC12H8N2O4S
Molecular Weight276.27 g/mol
Exact Mass276.02
IUPAC Name7-methyl-1,1-dioxo-4H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione
SMILESCc1ccc2c(n1)C(=O)C1=C(C2=O)S(=O)(=O)C=CN1
InChIInChI=1S/C12H8N2O4S/c1-6-2-3-7-8(14-6)11(16)9-12(10(7)15)19(17,18)5-4-13-9/h2-5,13H,1H3
InChIKeyZCRIPMBMRAPAQN-UHFFFAOYSA-N
XLogP0.47
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 7-methyl-1,1-dioxo-4H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione?
The IUPAC name of 7-methyl-1,1-dioxo-4H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione (CID 11608807) is 7-methyl-1,1-dioxo-4H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione.
What is the SMILES notation for 7-methyl-1,1-dioxo-4H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione?
The canonical SMILES for 7-methyl-1,1-dioxo-4H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione is Cc1ccc2c(n1)C(=O)C1=C(C2=O)S(=O)(=O)C=CN1.
What is the InChIKey of 7-methyl-1,1-dioxo-4H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione?
The InChIKey is ZCRIPMBMRAPAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O4S/c1-6-2-3-7-8(14-6)11(16)9-12(10(7)15)19(17,18)5-4-13-9/h2-5,13H,1H3.
What are the key properties of 7-methyl-1,1-dioxo-4H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione?
7-methyl-1,1-dioxo-4H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione has a molecular weight of 276.27 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,1-dioxo-4H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione is sourced from PubChem (CID 11608807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).