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

C14H15NO2 — CID 4523607

IUPAC2-ethyl-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one
SMILESCCC1CCc2c(c3ccccc3[nH]c2=O)O1
InChIInChI=1S/C14H15NO2/c1-2-9-7-8-11-13(17-9)10-5-3-4-6-12(10)15-14(11)16/h3-6,9H,2,7-8H2,1H3,(H,15,16)
InChIKeyAYHZSOKNJRWFHZ-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.63
Rot. Bonds1

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

2-ethyl-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one (PubChem CID 4523607) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-ethyl-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one.

Molecular Properties

Compound Name2-ethyl-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one
PubChem CID4523607
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-ethyl-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one
SMILESCCC1CCc2c(c3ccccc3[nH]c2=O)O1
InChIInChI=1S/C14H15NO2/c1-2-9-7-8-11-13(17-9)10-5-3-4-6-12(10)15-14(11)16/h3-6,9H,2,7-8H2,1H3,(H,15,16)
InChIKeyAYHZSOKNJRWFHZ-UHFFFAOYSA-N
XLogP2.63
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one?
The IUPAC name of 2-ethyl-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one (CID 4523607) is 2-ethyl-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one.
What is the SMILES notation for 2-ethyl-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one?
The canonical SMILES for 2-ethyl-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one is CCC1CCc2c(c3ccccc3[nH]c2=O)O1.
What is the InChIKey of 2-ethyl-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one?
The InChIKey is AYHZSOKNJRWFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-2-9-7-8-11-13(17-9)10-5-3-4-6-12(10)15-14(11)16/h3-6,9H,2,7-8H2,1H3,(H,15,16).
What are the key properties of 2-ethyl-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one?
2-ethyl-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one has a molecular weight of 229.28 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one is sourced from PubChem (CID 4523607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).