1,1-dioxo-2-quinolin-2-yl-1,2-benzothiazol-3-one

C16H10N2O3S — CID 162419792

IUPAC1,1-dioxo-2-quinolin-2-yl-1,2-benzothiazol-3-one
SMILESO=C1c2ccccc2S(=O)(=O)N1c1ccc2ccccc2n1
InChIInChI=1S/C16H10N2O3S/c19-16-12-6-2-4-8-14(12)22(20,21)18(16)15-10-9-11-5-1-3-7-13(11)17-15/h1-10H
InChIKeyWMGBWBCOPGDWMN-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.58
Rot. Bonds1

About 1,1-dioxo-2-quinolin-2-yl-1,2-benzothiazol-3-one

1,1-dioxo-2-quinolin-2-yl-1,2-benzothiazol-3-one (PubChem CID 162419792) has the molecular formula C16H10N2O3S and a molecular weight of 310.33 g/mol. Its IUPAC name is 1,1-dioxo-2-quinolin-2-yl-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name1,1-dioxo-2-quinolin-2-yl-1,2-benzothiazol-3-one
PubChem CID162419792
Molecular FormulaC16H10N2O3S
Molecular Weight310.33 g/mol
Exact Mass310.04
IUPAC Name1,1-dioxo-2-quinolin-2-yl-1,2-benzothiazol-3-one
SMILESO=C1c2ccccc2S(=O)(=O)N1c1ccc2ccccc2n1
InChIInChI=1S/C16H10N2O3S/c19-16-12-6-2-4-8-14(12)22(20,21)18(16)15-10-9-11-5-1-3-7-13(11)17-15/h1-10H
InChIKeyWMGBWBCOPGDWMN-UHFFFAOYSA-N
XLogP2.58
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-quinolin-2-yl-1,2-benzothiazol-3-one
CID 101126487
2-(3,5-dichloro-4-hydroxyphenyl)-1,1-dioxo-1,2-benzothiazol-3-one
CID 22095886
1-quinolin-2-yl-3H-indol-2-one
CID 174510331
1-oxo-2-phenyl-1-sulfanylidene-1,2-benzothiazol-3-one
CID 134612954
1-quinolin-2-ylquinoxalin-2-one
CID 162418555
methyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)benzoate
CID 12888522
4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanoic acid
CID 6473224
1,1-dioxo-2-(2-trimethylsilylethyl)-1,2-benzothiazol-3-one
CID 54112946
2-imidazol-1-ylquinoline
CID 24766159
2-[(2,6-dimethyl-4-pyridinyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 1399911
2-butanoyl-1,1-dioxo-1,2-benzothiazol-3-one
CID 66664926
2-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 71920694

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-2-quinolin-2-yl-1,2-benzothiazol-3-one?
The IUPAC name of 1,1-dioxo-2-quinolin-2-yl-1,2-benzothiazol-3-one (CID 162419792) is 1,1-dioxo-2-quinolin-2-yl-1,2-benzothiazol-3-one.
What is the SMILES notation for 1,1-dioxo-2-quinolin-2-yl-1,2-benzothiazol-3-one?
The canonical SMILES for 1,1-dioxo-2-quinolin-2-yl-1,2-benzothiazol-3-one is O=C1c2ccccc2S(=O)(=O)N1c1ccc2ccccc2n1.
What is the InChIKey of 1,1-dioxo-2-quinolin-2-yl-1,2-benzothiazol-3-one?
The InChIKey is WMGBWBCOPGDWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O3S/c19-16-12-6-2-4-8-14(12)22(20,21)18(16)15-10-9-11-5-1-3-7-13(11)17-15/h1-10H.
What are the key properties of 1,1-dioxo-2-quinolin-2-yl-1,2-benzothiazol-3-one?
1,1-dioxo-2-quinolin-2-yl-1,2-benzothiazol-3-one has a molecular weight of 310.33 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-2-quinolin-2-yl-1,2-benzothiazol-3-one is sourced from PubChem (CID 162419792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).