8-(4-methoxyphenyl)sulfonyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one

C18H15NO6S — CID 163347228

IUPAC8-(4-methoxyphenyl)sulfonyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one
SMILESCOc1ccc(S(=O)(=O)c2c[nH]c3cc4c(cc3c2=O)OCCO4)cc1
InChIInChI=1S/C18H15NO6S/c1-23-11-2-4-12(5-3-11)26(21,22)17-10-19-14-9-16-15(24-6-7-25-16)8-13(14)18(17)20/h2-5,8-10H,6-7H2,1H3,(H,19,20)
InChIKeyAWQGPAAQUDXMTE-UHFFFAOYSA-N
MW373.39 g/mol
LogP2.14
Rot. Bonds3

About 8-(4-methoxyphenyl)sulfonyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one

8-(4-methoxyphenyl)sulfonyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one (PubChem CID 163347228) has the molecular formula C18H15NO6S and a molecular weight of 373.39 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)sulfonyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one.

Molecular Properties

Compound Name8-(4-methoxyphenyl)sulfonyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one
PubChem CID163347228
Molecular FormulaC18H15NO6S
Molecular Weight373.39 g/mol
Exact Mass373.06
IUPAC Name8-(4-methoxyphenyl)sulfonyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one
SMILESCOc1ccc(S(=O)(=O)c2c[nH]c3cc4c(cc3c2=O)OCCO4)cc1
InChIInChI=1S/C18H15NO6S/c1-23-11-2-4-12(5-3-11)26(21,22)17-10-19-14-9-16-15(24-6-7-25-16)8-13(14)18(17)20/h2-5,8-10H,6-7H2,1H3,(H,19,20)
InChIKeyAWQGPAAQUDXMTE-UHFFFAOYSA-N
XLogP2.14
TPSA94.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)sulfonyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one?
The IUPAC name of 8-(4-methoxyphenyl)sulfonyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one (CID 163347228) is 8-(4-methoxyphenyl)sulfonyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one.
What is the SMILES notation for 8-(4-methoxyphenyl)sulfonyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one?
The canonical SMILES for 8-(4-methoxyphenyl)sulfonyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one is COc1ccc(S(=O)(=O)c2c[nH]c3cc4c(cc3c2=O)OCCO4)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)sulfonyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one?
The InChIKey is AWQGPAAQUDXMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO6S/c1-23-11-2-4-12(5-3-11)26(21,22)17-10-19-14-9-16-15(24-6-7-25-16)8-13(14)18(17)20/h2-5,8-10H,6-7H2,1H3,(H,19,20).
What are the key properties of 8-(4-methoxyphenyl)sulfonyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one?
8-(4-methoxyphenyl)sulfonyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one has a molecular weight of 373.39 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)sulfonyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one is sourced from PubChem (CID 163347228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).