3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one

C11H9NO3 — CID 46882536

IUPAC3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one
SMILESO=c1cc[nH]c2cc3c(cc12)OCCO3
InChIInChI=1S/C11H9NO3/c13-9-1-2-12-8-6-11-10(5-7(8)9)14-3-4-15-11/h1-2,5-6H,3-4H2,(H,12,13)
InChIKeyBTKVXNUPTFDVLG-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.30
Rot. Bonds

About 3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one

3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one (PubChem CID 46882536) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one.

Molecular Properties

Compound Name3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one
PubChem CID46882536
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one
SMILESO=c1cc[nH]c2cc3c(cc12)OCCO3
InChIInChI=1S/C11H9NO3/c13-9-1-2-12-8-6-11-10(5-7(8)9)14-3-4-15-11/h1-2,5-6H,3-4H2,(H,12,13)
InChIKeyBTKVXNUPTFDVLG-UHFFFAOYSA-N
XLogP1.30
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one?
The IUPAC name of 3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one (CID 46882536) is 3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one.
What is the SMILES notation for 3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one?
The canonical SMILES for 3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one is O=c1cc[nH]c2cc3c(cc12)OCCO3.
What is the InChIKey of 3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one?
The InChIKey is BTKVXNUPTFDVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c13-9-1-2-12-8-6-11-10(5-7(8)9)14-3-4-15-11/h1-2,5-6H,3-4H2,(H,12,13).
What are the key properties of 3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one?
3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one has a molecular weight of 203.20 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one is sourced from PubChem (CID 46882536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).