2-(methoxymethyl)-5-methyl-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-7-one

C14H17NO3 — CID 23369559

IUPAC2-(methoxymethyl)-5-methyl-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-7-one
SMILESCOCC1Cc2cc(C)c3c(c2O1)CCC(=O)N3
InChIInChI=1S/C14H17NO3/c1-8-5-9-6-10(7-17-2)18-14(9)11-3-4-12(16)15-13(8)11/h5,10H,3-4,6-7H2,1-2H3,(H,15,16)
InChIKeyDQPDVFXPIUEDGG-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.83
Rot. Bonds2

About 2-(methoxymethyl)-5-methyl-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-7-one

2-(methoxymethyl)-5-methyl-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-7-one (PubChem CID 23369559) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-methyl-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-7-one.

Molecular Properties

Compound Name2-(methoxymethyl)-5-methyl-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-7-one
PubChem CID23369559
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-(methoxymethyl)-5-methyl-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-7-one
SMILESCOCC1Cc2cc(C)c3c(c2O1)CCC(=O)N3
InChIInChI=1S/C14H17NO3/c1-8-5-9-6-10(7-17-2)18-14(9)11-3-4-12(16)15-13(8)11/h5,10H,3-4,6-7H2,1-2H3,(H,15,16)
InChIKeyDQPDVFXPIUEDGG-UHFFFAOYSA-N
XLogP1.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-methyl-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-7-one?
The IUPAC name of 2-(methoxymethyl)-5-methyl-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-7-one (CID 23369559) is 2-(methoxymethyl)-5-methyl-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-7-one.
What is the SMILES notation for 2-(methoxymethyl)-5-methyl-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-7-one?
The canonical SMILES for 2-(methoxymethyl)-5-methyl-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-7-one is COCC1Cc2cc(C)c3c(c2O1)CCC(=O)N3.
What is the InChIKey of 2-(methoxymethyl)-5-methyl-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-7-one?
The InChIKey is DQPDVFXPIUEDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-8-5-9-6-10(7-17-2)18-14(9)11-3-4-12(16)15-13(8)11/h5,10H,3-4,6-7H2,1-2H3,(H,15,16).
What are the key properties of 2-(methoxymethyl)-5-methyl-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-7-one?
2-(methoxymethyl)-5-methyl-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-7-one has a molecular weight of 247.29 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-methyl-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-7-one is sourced from PubChem (CID 23369559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).