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

C13H15NO3 — CID 23369723

IUPAC2-(hydroxymethyl)-5-methyl-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-7-one
SMILESCc1cc2c(c3c1NC(=O)CC3)OC(CO)C2
InChIInChI=1S/C13H15NO3/c1-7-4-8-5-9(6-15)17-13(8)10-2-3-11(16)14-12(7)10/h4,9,15H,2-3,5-6H2,1H3,(H,14,16)
InChIKeyCHGSUKWQJIWCJE-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.18
Rot. Bonds1

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

2-(hydroxymethyl)-5-methyl-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-7-one (PubChem CID 23369723) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-methyl-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-7-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-methyl-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-7-one
PubChem CID23369723
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2-(hydroxymethyl)-5-methyl-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-7-one
SMILESCc1cc2c(c3c1NC(=O)CC3)OC(CO)C2
InChIInChI=1S/C13H15NO3/c1-7-4-8-5-9(6-15)17-13(8)10-2-3-11(16)14-12(7)10/h4,9,15H,2-3,5-6H2,1H3,(H,14,16)
InChIKeyCHGSUKWQJIWCJE-UHFFFAOYSA-N
XLogP1.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-methyl-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-7-one?
The IUPAC name of 2-(hydroxymethyl)-5-methyl-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-7-one (CID 23369723) is 2-(hydroxymethyl)-5-methyl-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-7-one.
What is the SMILES notation for 2-(hydroxymethyl)-5-methyl-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-7-one?
The canonical SMILES for 2-(hydroxymethyl)-5-methyl-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-7-one is Cc1cc2c(c3c1NC(=O)CC3)OC(CO)C2.
What is the InChIKey of 2-(hydroxymethyl)-5-methyl-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-7-one?
The InChIKey is CHGSUKWQJIWCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-7-4-8-5-9(6-15)17-13(8)10-2-3-11(16)14-12(7)10/h4,9,15H,2-3,5-6H2,1H3,(H,14,16).
What are the key properties of 2-(hydroxymethyl)-5-methyl-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-7-one?
2-(hydroxymethyl)-5-methyl-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-7-one has a molecular weight of 233.27 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-methyl-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-7-one is sourced from PubChem (CID 23369723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).