1,1-dioxo-2-[2-(quinolin-2-ylmethoxy)phenyl]-1,2,4-thiadiazetidin-3-one

C17H13N3O4S — CID 54453783

IUPAC1,1-dioxo-2-[2-(quinolin-2-ylmethoxy)phenyl]-1,2,4-thiadiazetidin-3-one
SMILESO=C1NS(=O)(=O)N1c1ccccc1OCc1ccc2ccccc2n1
InChIInChI=1S/C17H13N3O4S/c21-17-19-25(22,23)20(17)15-7-3-4-8-16(15)24-11-13-10-9-12-5-1-2-6-14(12)18-13/h1-10H,11H2,(H,19,21)
InChIKeyWWTNOOVQYAKGRT-UHFFFAOYSA-N
MW355.38 g/mol
LogP2.59
Rot. Bonds4

About 1,1-dioxo-2-[2-(quinolin-2-ylmethoxy)phenyl]-1,2,4-thiadiazetidin-3-one

1,1-dioxo-2-[2-(quinolin-2-ylmethoxy)phenyl]-1,2,4-thiadiazetidin-3-one (PubChem CID 54453783) has the molecular formula C17H13N3O4S and a molecular weight of 355.38 g/mol. Its IUPAC name is 1,1-dioxo-2-[2-(quinolin-2-ylmethoxy)phenyl]-1,2,4-thiadiazetidin-3-one.

Molecular Properties

Compound Name1,1-dioxo-2-[2-(quinolin-2-ylmethoxy)phenyl]-1,2,4-thiadiazetidin-3-one
PubChem CID54453783
Molecular FormulaC17H13N3O4S
Molecular Weight355.38 g/mol
Exact Mass355.06
IUPAC Name1,1-dioxo-2-[2-(quinolin-2-ylmethoxy)phenyl]-1,2,4-thiadiazetidin-3-one
SMILESO=C1NS(=O)(=O)N1c1ccccc1OCc1ccc2ccccc2n1
InChIInChI=1S/C17H13N3O4S/c21-17-19-25(22,23)20(17)15-7-3-4-8-16(15)24-11-13-10-9-12-5-1-2-6-14(12)18-13/h1-10H,11H2,(H,19,21)
InChIKeyWWTNOOVQYAKGRT-UHFFFAOYSA-N
XLogP2.59
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,1-dioxo-2-[2-(quinolin-2-ylmethoxy)phenyl]-1,2,4-thiadiazetidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(quinolin-2-ylmethoxy)benzoate
CID 6919840
3-(quinolin-2-ylmethoxy)thiophene-2-carboxylic acid
CID 63338487
1-benzyl-1-[2-(quinolin-2-ylmethoxy)phenyl]hydrazine
CID 19814666
3-fluoro-4-(quinolin-2-ylmethoxy)benzaldehyde
CID 103850104
4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid
CID 5074844
[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 61389098
4-methyl-2-(quinolin-2-ylmethoxy)aniline
CID 28773260
3-methoxy-4-(quinolin-2-ylmethoxy)phenol;3-methyl-4-(quinolin-2-ylmethoxy)phenol
CID 70388723
2-[(2-bromo-4-methoxyphenoxy)methyl]quinoline
CID 104707445
1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
CID 10792807
[6-methyl-3-(quinolin-2-ylmethoxy)-2-pyridinyl]methanol
CID 79157803
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-2-[2-(quinolin-2-ylmethoxy)phenyl]-1,2,4-thiadiazetidin-3-one?
The IUPAC name of 1,1-dioxo-2-[2-(quinolin-2-ylmethoxy)phenyl]-1,2,4-thiadiazetidin-3-one (CID 54453783) is 1,1-dioxo-2-[2-(quinolin-2-ylmethoxy)phenyl]-1,2,4-thiadiazetidin-3-one.
What is the SMILES notation for 1,1-dioxo-2-[2-(quinolin-2-ylmethoxy)phenyl]-1,2,4-thiadiazetidin-3-one?
The canonical SMILES for 1,1-dioxo-2-[2-(quinolin-2-ylmethoxy)phenyl]-1,2,4-thiadiazetidin-3-one is O=C1NS(=O)(=O)N1c1ccccc1OCc1ccc2ccccc2n1.
What is the InChIKey of 1,1-dioxo-2-[2-(quinolin-2-ylmethoxy)phenyl]-1,2,4-thiadiazetidin-3-one?
The InChIKey is WWTNOOVQYAKGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4S/c21-17-19-25(22,23)20(17)15-7-3-4-8-16(15)24-11-13-10-9-12-5-1-2-6-14(12)18-13/h1-10H,11H2,(H,19,21).
What are the key properties of 1,1-dioxo-2-[2-(quinolin-2-ylmethoxy)phenyl]-1,2,4-thiadiazetidin-3-one?
1,1-dioxo-2-[2-(quinolin-2-ylmethoxy)phenyl]-1,2,4-thiadiazetidin-3-one has a molecular weight of 355.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-2-[2-(quinolin-2-ylmethoxy)phenyl]-1,2,4-thiadiazetidin-3-one is sourced from PubChem (CID 54453783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).