1-methyl-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]quinolin-2-one

C18H14N2O2S — CID 139599198

IUPAC1-methyl-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]quinolin-2-one
SMILESCc1nc2cc(Oc3cc4ccccc4n(C)c3=O)ccc2s1
InChIInChI=1S/C18H14N2O2S/c1-11-19-14-10-13(7-8-17(14)23-11)22-16-9-12-5-3-4-6-15(12)20(2)18(16)21/h3-10H,1-2H3
InChIKeyJNCFUGMHNWXDIL-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.25
Rot. Bonds2

About 1-methyl-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]quinolin-2-one

1-methyl-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]quinolin-2-one (PubChem CID 139599198) has the molecular formula C18H14N2O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is 1-methyl-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]quinolin-2-one
PubChem CID139599198
Molecular FormulaC18H14N2O2S
Molecular Weight322.39 g/mol
Exact Mass322.08
IUPAC Name1-methyl-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]quinolin-2-one
SMILESCc1nc2cc(Oc3cc4ccccc4n(C)c3=O)ccc2s1
InChIInChI=1S/C18H14N2O2S/c1-11-19-14-10-13(7-8-17(14)23-11)22-16-9-12-5-3-4-6-15(12)20(2)18(16)21/h3-10H,1-2H3
InChIKeyJNCFUGMHNWXDIL-UHFFFAOYSA-N
XLogP4.25
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridin-2-amine
CID 139598514
1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)quinolin-2-imine
CID 741414
2-methyl-5-pyrimidin-5-yloxy-1,3-benzothiazole
CID 138807740
ethane;5-methoxy-2-methyl-1,3-benzothiazole
CID 142881099
2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole
CID 89461022
5-ethoxy-2-methyl-1,3-benzothiazole
CID 832782
hydroxy-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-sulfanylidene-λ4-sulfane
CID 58683338
2-[2-[4-[(2R)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 21060622
sodium 2-methyl-5-sulfidosulfinyloxy-1,3-benzothiazole
CID 58683337
5-methoxy-2-methyl-1,3-benzothiazole;2-methylsulfanyl-1,3-benzothiazole
CID 67304255
5-chloro-2-methyl-1,3-benzothiazole;methane
CID 163804732
3-iodo-1-methylquinolin-2-one
CID 15733001

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]quinolin-2-one?
The IUPAC name of 1-methyl-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]quinolin-2-one (CID 139599198) is 1-methyl-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]quinolin-2-one.
What is the SMILES notation for 1-methyl-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]quinolin-2-one?
The canonical SMILES for 1-methyl-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]quinolin-2-one is Cc1nc2cc(Oc3cc4ccccc4n(C)c3=O)ccc2s1.
What is the InChIKey of 1-methyl-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]quinolin-2-one?
The InChIKey is JNCFUGMHNWXDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S/c1-11-19-14-10-13(7-8-17(14)23-11)22-16-9-12-5-3-4-6-15(12)20(2)18(16)21/h3-10H,1-2H3.
What are the key properties of 1-methyl-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]quinolin-2-one?
1-methyl-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]quinolin-2-one has a molecular weight of 322.39 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]quinolin-2-one is sourced from PubChem (CID 139599198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).