3-(5-hydroxy-2H-1,2,3-benzothiadiazin-4-yl)-1H-quinolin-2-one

C16H11N3O2S — CID 143862090

IUPAC3-(5-hydroxy-2H-1,2,3-benzothiadiazin-4-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1C1=NNSc2cccc(O)c21
InChIInChI=1S/C16H11N3O2S/c20-12-6-3-7-13-14(12)15(18-19-22-13)10-8-9-4-1-2-5-11(9)17-16(10)21/h1-8,19-20H,(H,17,21)
InChIKeyMTEAEZACDQEICS-UHFFFAOYSA-N
MW309.35 g/mol
LogP2.60
Rot. Bonds1

About 3-(5-hydroxy-2H-1,2,3-benzothiadiazin-4-yl)-1H-quinolin-2-one

3-(5-hydroxy-2H-1,2,3-benzothiadiazin-4-yl)-1H-quinolin-2-one (PubChem CID 143862090) has the molecular formula C16H11N3O2S and a molecular weight of 309.35 g/mol. Its IUPAC name is 3-(5-hydroxy-2H-1,2,3-benzothiadiazin-4-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(5-hydroxy-2H-1,2,3-benzothiadiazin-4-yl)-1H-quinolin-2-one
PubChem CID143862090
Molecular FormulaC16H11N3O2S
Molecular Weight309.35 g/mol
Exact Mass309.06
IUPAC Name3-(5-hydroxy-2H-1,2,3-benzothiadiazin-4-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1C1=NNSc2cccc(O)c21
InChIInChI=1S/C16H11N3O2S/c20-12-6-3-7-13-14(12)15(18-19-22-13)10-8-9-4-1-2-5-11(9)17-16(10)21/h1-8,19-20H,(H,17,21)
InChIKeyMTEAEZACDQEICS-UHFFFAOYSA-N
XLogP2.60
TPSA77.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-hydroxyphenyl)-1H-quinolin-2-one
CID 11989516
3-hydroxy-1H-quinolin-2-one
CID 162237175
3-hydroxy-1H-quinolin-2-one
CID 818159
3-(3-chlorophenyl)-1H-quinolin-2-one
CID 152763617
3-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
CID 135528630
[4-(2-oxo-1H-quinolin-3-yl)phenyl] sulfamate
CID 11989630
3-(2,6-diphenyl-4-pyridinyl)-1H-quinolin-2-one
CID 25231803
3-(3-hydroxynaphthalene-2-carbonyl)-1H-quinolin-2-one
CID 628875
3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylpyrazin-2-yl]-1H-quinolin-2-one
CID 170781189
2-(1H-indol-2-yl)phenol;sulfuric acid
CID 155109187
4H-cyclopenta[b]quinolin-1-ol
CID 154308878
copper bis(2-oxo-1H-quinolin-3-olate)
CID 67199859

Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxy-2H-1,2,3-benzothiadiazin-4-yl)-1H-quinolin-2-one?
The IUPAC name of 3-(5-hydroxy-2H-1,2,3-benzothiadiazin-4-yl)-1H-quinolin-2-one (CID 143862090) is 3-(5-hydroxy-2H-1,2,3-benzothiadiazin-4-yl)-1H-quinolin-2-one.
What is the SMILES notation for 3-(5-hydroxy-2H-1,2,3-benzothiadiazin-4-yl)-1H-quinolin-2-one?
The canonical SMILES for 3-(5-hydroxy-2H-1,2,3-benzothiadiazin-4-yl)-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1C1=NNSc2cccc(O)c21.
What is the InChIKey of 3-(5-hydroxy-2H-1,2,3-benzothiadiazin-4-yl)-1H-quinolin-2-one?
The InChIKey is MTEAEZACDQEICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2S/c20-12-6-3-7-13-14(12)15(18-19-22-13)10-8-9-4-1-2-5-11(9)17-16(10)21/h1-8,19-20H,(H,17,21).
What are the key properties of 3-(5-hydroxy-2H-1,2,3-benzothiadiazin-4-yl)-1H-quinolin-2-one?
3-(5-hydroxy-2H-1,2,3-benzothiadiazin-4-yl)-1H-quinolin-2-one has a molecular weight of 309.35 g/mol, XLogP of 2.60, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxy-2H-1,2,3-benzothiadiazin-4-yl)-1H-quinolin-2-one is sourced from PubChem (CID 143862090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).