1H-thiazeto[4,3-b]quinoline 2,2-dioxide

C9H6N2O2S — CID 54411529

IUPAC1H-thiazeto[4,3-b]quinoline 2,2-dioxide
SMILESO=S1(=O)Nc2cc3ccccc3nc21
InChIInChI=1S/C9H6N2O2S/c12-14(13)9-8(11-14)5-6-3-1-2-4-7(6)10-9/h1-5,11H
InChIKeyVUMGBBQGKVLNDZ-UHFFFAOYSA-N
MW206.23 g/mol
LogP1.35
Rot. Bonds

About 1H-thiazeto[4,3-b]quinoline 2,2-dioxide

1H-thiazeto[4,3-b]quinoline 2,2-dioxide (PubChem CID 54411529) has the molecular formula C9H6N2O2S and a molecular weight of 206.23 g/mol. Its IUPAC name is 1H-thiazeto[4,3-b]quinoline 2,2-dioxide.

Molecular Properties

Compound Name1H-thiazeto[4,3-b]quinoline 2,2-dioxide
PubChem CID54411529
Molecular FormulaC9H6N2O2S
Molecular Weight206.23 g/mol
Exact Mass206.01
IUPAC Name1H-thiazeto[4,3-b]quinoline 2,2-dioxide
SMILESO=S1(=O)Nc2cc3ccccc3nc21
InChIInChI=1S/C9H6N2O2S/c12-14(13)9-8(11-14)5-6-3-1-2-4-7(6)10-9/h1-5,11H
InChIKeyVUMGBBQGKVLNDZ-UHFFFAOYSA-N
XLogP1.35
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-thiazeto[4,3-b]quinoline 2,2-dioxide?
The IUPAC name of 1H-thiazeto[4,3-b]quinoline 2,2-dioxide (CID 54411529) is 1H-thiazeto[4,3-b]quinoline 2,2-dioxide.
What is the SMILES notation for 1H-thiazeto[4,3-b]quinoline 2,2-dioxide?
The canonical SMILES for 1H-thiazeto[4,3-b]quinoline 2,2-dioxide is O=S1(=O)Nc2cc3ccccc3nc21.
What is the InChIKey of 1H-thiazeto[4,3-b]quinoline 2,2-dioxide?
The InChIKey is VUMGBBQGKVLNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2S/c12-14(13)9-8(11-14)5-6-3-1-2-4-7(6)10-9/h1-5,11H.
What are the key properties of 1H-thiazeto[4,3-b]quinoline 2,2-dioxide?
1H-thiazeto[4,3-b]quinoline 2,2-dioxide has a molecular weight of 206.23 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-thiazeto[4,3-b]quinoline 2,2-dioxide is sourced from PubChem (CID 54411529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).