5-methoxy-10-methyl-2,3,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydro-[1,4]dioxino[2,3-f]quinoline

C13H23NO3 — CID 163940390

IUPAC5-methoxy-10-methyl-2,3,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydro-[1,4]dioxino[2,3-f]quinoline
SMILESCOC1CC2NCCC(C)C2C2OCCOC12
InChIInChI=1S/C13H23NO3/c1-8-3-4-14-9-7-10(15-2)12-13(11(8)9)17-6-5-16-12/h8-14H,3-7H2,1-2H3
InChIKeyRQMJTMZESIMKAN-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.80
Rot. Bonds1

About 5-methoxy-10-methyl-2,3,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydro-[1,4]dioxino[2,3-f]quinoline

5-methoxy-10-methyl-2,3,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydro-[1,4]dioxino[2,3-f]quinoline (PubChem CID 163940390) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 5-methoxy-10-methyl-2,3,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydro-[1,4]dioxino[2,3-f]quinoline.

Molecular Properties

Compound Name5-methoxy-10-methyl-2,3,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydro-[1,4]dioxino[2,3-f]quinoline
PubChem CID163940390
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name5-methoxy-10-methyl-2,3,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydro-[1,4]dioxino[2,3-f]quinoline
SMILESCOC1CC2NCCC(C)C2C2OCCOC12
InChIInChI=1S/C13H23NO3/c1-8-3-4-14-9-7-10(15-2)12-13(11(8)9)17-6-5-16-12/h8-14H,3-7H2,1-2H3
InChIKeyRQMJTMZESIMKAN-UHFFFAOYSA-N
XLogP0.80
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methoxy-10-methyl-2,3,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydro-[1,4]dioxino[2,3-f]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-10-methyl-2,3,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydro-[1,4]dioxino[2,3-f]quinoline?
The IUPAC name of 5-methoxy-10-methyl-2,3,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydro-[1,4]dioxino[2,3-f]quinoline (CID 163940390) is 5-methoxy-10-methyl-2,3,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydro-[1,4]dioxino[2,3-f]quinoline.
What is the SMILES notation for 5-methoxy-10-methyl-2,3,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydro-[1,4]dioxino[2,3-f]quinoline?
The canonical SMILES for 5-methoxy-10-methyl-2,3,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydro-[1,4]dioxino[2,3-f]quinoline is COC1CC2NCCC(C)C2C2OCCOC12.
What is the InChIKey of 5-methoxy-10-methyl-2,3,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydro-[1,4]dioxino[2,3-f]quinoline?
The InChIKey is RQMJTMZESIMKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-8-3-4-14-9-7-10(15-2)12-13(11(8)9)17-6-5-16-12/h8-14H,3-7H2,1-2H3.
What are the key properties of 5-methoxy-10-methyl-2,3,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydro-[1,4]dioxino[2,3-f]quinoline?
5-methoxy-10-methyl-2,3,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydro-[1,4]dioxino[2,3-f]quinoline has a molecular weight of 241.33 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-10-methyl-2,3,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydro-[1,4]dioxino[2,3-f]quinoline is sourced from PubChem (CID 163940390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).