5-ethyl-[1,3]dioxolo[4,5-g]quinolin-8-one

C12H11NO3 — CID 3834158

IUPAC5-ethyl-[1,3]dioxolo[4,5-g]quinolin-8-one
SMILESCCn1ccc(=O)c2cc3c(cc21)OCO3
InChIInChI=1S/C12H11NO3/c1-2-13-4-3-10(14)8-5-11-12(6-9(8)13)16-7-15-11/h3-6H,2,7H2,1H3
InChIKeyNBFUUSGMURZAQI-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.75
Rot. Bonds1

About 5-ethyl-[1,3]dioxolo[4,5-g]quinolin-8-one

5-ethyl-[1,3]dioxolo[4,5-g]quinolin-8-one (PubChem CID 3834158) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 5-ethyl-[1,3]dioxolo[4,5-g]quinolin-8-one.

Molecular Properties

Compound Name5-ethyl-[1,3]dioxolo[4,5-g]quinolin-8-one
PubChem CID3834158
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name5-ethyl-[1,3]dioxolo[4,5-g]quinolin-8-one
SMILESCCn1ccc(=O)c2cc3c(cc21)OCO3
InChIInChI=1S/C12H11NO3/c1-2-13-4-3-10(14)8-5-11-12(6-9(8)13)16-7-15-11/h3-6H,2,7H2,1H3
InChIKeyNBFUUSGMURZAQI-UHFFFAOYSA-N
XLogP1.75
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-[1,3]dioxolo[4,5-g]quinolin-8-one?
The IUPAC name of 5-ethyl-[1,3]dioxolo[4,5-g]quinolin-8-one (CID 3834158) is 5-ethyl-[1,3]dioxolo[4,5-g]quinolin-8-one.
What is the SMILES notation for 5-ethyl-[1,3]dioxolo[4,5-g]quinolin-8-one?
The canonical SMILES for 5-ethyl-[1,3]dioxolo[4,5-g]quinolin-8-one is CCn1ccc(=O)c2cc3c(cc21)OCO3.
What is the InChIKey of 5-ethyl-[1,3]dioxolo[4,5-g]quinolin-8-one?
The InChIKey is NBFUUSGMURZAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-2-13-4-3-10(14)8-5-11-12(6-9(8)13)16-7-15-11/h3-6H,2,7H2,1H3.
What are the key properties of 5-ethyl-[1,3]dioxolo[4,5-g]quinolin-8-one?
5-ethyl-[1,3]dioxolo[4,5-g]quinolin-8-one has a molecular weight of 217.22 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-[1,3]dioxolo[4,5-g]quinolin-8-one is sourced from PubChem (CID 3834158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).