2-methyl-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one

C13H13NO2 — CID 3492257

IUPAC2-methyl-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one
SMILESCC1CCc2c(c3ccccc3[nH]c2=O)O1
InChIInChI=1S/C13H13NO2/c1-8-6-7-10-12(16-8)9-4-2-3-5-11(9)14-13(10)15/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKeyGOUGXEZJGPPHNS-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.24
Rot. Bonds

About 2-methyl-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one

2-methyl-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one (PubChem CID 3492257) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-methyl-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one.

Molecular Properties

Compound Name2-methyl-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one
PubChem CID3492257
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name2-methyl-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one
SMILESCC1CCc2c(c3ccccc3[nH]c2=O)O1
InChIInChI=1S/C13H13NO2/c1-8-6-7-10-12(16-8)9-4-2-3-5-11(9)14-13(10)15/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKeyGOUGXEZJGPPHNS-UHFFFAOYSA-N
XLogP2.24
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one?
The IUPAC name of 2-methyl-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one (CID 3492257) is 2-methyl-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one.
What is the SMILES notation for 2-methyl-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one?
The canonical SMILES for 2-methyl-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one is CC1CCc2c(c3ccccc3[nH]c2=O)O1.
What is the InChIKey of 2-methyl-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one?
The InChIKey is GOUGXEZJGPPHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-8-6-7-10-12(16-8)9-4-2-3-5-11(9)14-13(10)15/h2-5,8H,6-7H2,1H3,(H,14,15).
What are the key properties of 2-methyl-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one?
2-methyl-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one has a molecular weight of 215.25 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one is sourced from PubChem (CID 3492257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).