7-iodo-4H-[1,4]thiazino[3,2-b]quinolin-3-one

C11H7IN2OS — CID 138712725

IUPAC7-iodo-4H-[1,4]thiazino[3,2-b]quinolin-3-one
SMILESO=C1CSc2cc3ccc(I)cc3nc2N1
InChIInChI=1S/C11H7IN2OS/c12-7-2-1-6-3-9-11(13-8(6)4-7)14-10(15)5-16-9/h1-4H,5H2,(H,13,14,15)
InChIKeyDNEJHRWZIIPIBP-UHFFFAOYSA-N
MW342.16 g/mol
LogP2.88
Rot. Bonds

About 7-iodo-4H-[1,4]thiazino[3,2-b]quinolin-3-one

7-iodo-4H-[1,4]thiazino[3,2-b]quinolin-3-one (PubChem CID 138712725) has the molecular formula C11H7IN2OS and a molecular weight of 342.16 g/mol. Its IUPAC name is 7-iodo-4H-[1,4]thiazino[3,2-b]quinolin-3-one.

Molecular Properties

Compound Name7-iodo-4H-[1,4]thiazino[3,2-b]quinolin-3-one
PubChem CID138712725
Molecular FormulaC11H7IN2OS
Molecular Weight342.16 g/mol
Exact Mass341.93
IUPAC Name7-iodo-4H-[1,4]thiazino[3,2-b]quinolin-3-one
SMILESO=C1CSc2cc3ccc(I)cc3nc2N1
InChIInChI=1S/C11H7IN2OS/c12-7-2-1-6-3-9-11(13-8(6)4-7)14-10(15)5-16-9/h1-4H,5H2,(H,13,14,15)
InChIKeyDNEJHRWZIIPIBP-UHFFFAOYSA-N
XLogP2.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.16
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-iodo-4H-[1,4]thiazino[3,2-b]quinolin-3-one?
The IUPAC name of 7-iodo-4H-[1,4]thiazino[3,2-b]quinolin-3-one (CID 138712725) is 7-iodo-4H-[1,4]thiazino[3,2-b]quinolin-3-one.
What is the SMILES notation for 7-iodo-4H-[1,4]thiazino[3,2-b]quinolin-3-one?
The canonical SMILES for 7-iodo-4H-[1,4]thiazino[3,2-b]quinolin-3-one is O=C1CSc2cc3ccc(I)cc3nc2N1.
What is the InChIKey of 7-iodo-4H-[1,4]thiazino[3,2-b]quinolin-3-one?
The InChIKey is DNEJHRWZIIPIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7IN2OS/c12-7-2-1-6-3-9-11(13-8(6)4-7)14-10(15)5-16-9/h1-4H,5H2,(H,13,14,15).
What are the key properties of 7-iodo-4H-[1,4]thiazino[3,2-b]quinolin-3-one?
7-iodo-4H-[1,4]thiazino[3,2-b]quinolin-3-one has a molecular weight of 342.16 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-4H-[1,4]thiazino[3,2-b]quinolin-3-one is sourced from PubChem (CID 138712725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).