8-methyl-7-(pyridin-2-ylmethylsulfanyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline

C18H16N2O2S — CID 3186528

IUPAC8-methyl-7-(pyridin-2-ylmethylsulfanyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline
SMILESCc1cc2cc3c(cc2nc1SCc1ccccn1)OCCO3
InChIInChI=1S/C18H16N2O2S/c1-12-8-13-9-16-17(22-7-6-21-16)10-15(13)20-18(12)23-11-14-4-2-3-5-19-14/h2-5,8-10H,6-7,11H2,1H3
InChIKeyUWMURXWGEPJWBF-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.00
Rot. Bonds3

About 8-methyl-7-(pyridin-2-ylmethylsulfanyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline

8-methyl-7-(pyridin-2-ylmethylsulfanyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline (PubChem CID 3186528) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 8-methyl-7-(pyridin-2-ylmethylsulfanyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline.

Molecular Properties

Compound Name8-methyl-7-(pyridin-2-ylmethylsulfanyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline
PubChem CID3186528
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name8-methyl-7-(pyridin-2-ylmethylsulfanyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline
SMILESCc1cc2cc3c(cc2nc1SCc1ccccn1)OCCO3
InChIInChI=1S/C18H16N2O2S/c1-12-8-13-9-16-17(22-7-6-21-16)10-15(13)20-18(12)23-11-14-4-2-3-5-19-14/h2-5,8-10H,6-7,11H2,1H3
InChIKeyUWMURXWGEPJWBF-UHFFFAOYSA-N
XLogP4.00
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-(pyridin-2-ylmethylsulfanyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline?
The IUPAC name of 8-methyl-7-(pyridin-2-ylmethylsulfanyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline (CID 3186528) is 8-methyl-7-(pyridin-2-ylmethylsulfanyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline.
What is the SMILES notation for 8-methyl-7-(pyridin-2-ylmethylsulfanyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline?
The canonical SMILES for 8-methyl-7-(pyridin-2-ylmethylsulfanyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline is Cc1cc2cc3c(cc2nc1SCc1ccccn1)OCCO3.
What is the InChIKey of 8-methyl-7-(pyridin-2-ylmethylsulfanyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline?
The InChIKey is UWMURXWGEPJWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-12-8-13-9-16-17(22-7-6-21-16)10-15(13)20-18(12)23-11-14-4-2-3-5-19-14/h2-5,8-10H,6-7,11H2,1H3.
What are the key properties of 8-methyl-7-(pyridin-2-ylmethylsulfanyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline?
8-methyl-7-(pyridin-2-ylmethylsulfanyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline has a molecular weight of 324.41 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-(pyridin-2-ylmethylsulfanyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline is sourced from PubChem (CID 3186528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).