9-pyridin-4-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

C16H14N2O3 — CID 2983583

IUPAC9-pyridin-4-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESO=C1CC(c2ccncc2)c2cc3c(cc2N1)OCCO3
InChIInChI=1S/C16H14N2O3/c19-16-8-11(10-1-3-17-4-2-10)12-7-14-15(9-13(12)18-16)21-6-5-20-14/h1-4,7,9,11H,5-6,8H2,(H,18,19)
InChIKeyYORUPJAHNOZGEI-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.33
Rot. Bonds1

About 9-pyridin-4-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

9-pyridin-4-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (PubChem CID 2983583) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 9-pyridin-4-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.

Molecular Properties

Compound Name9-pyridin-4-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
PubChem CID2983583
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name9-pyridin-4-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESO=C1CC(c2ccncc2)c2cc3c(cc2N1)OCCO3
InChIInChI=1S/C16H14N2O3/c19-16-8-11(10-1-3-17-4-2-10)12-7-14-15(9-13(12)18-16)21-6-5-20-14/h1-4,7,9,11H,5-6,8H2,(H,18,19)
InChIKeyYORUPJAHNOZGEI-UHFFFAOYSA-N
XLogP2.33
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-pyridin-4-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The IUPAC name of 9-pyridin-4-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (CID 2983583) is 9-pyridin-4-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.
What is the SMILES notation for 9-pyridin-4-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The canonical SMILES for 9-pyridin-4-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is O=C1CC(c2ccncc2)c2cc3c(cc2N1)OCCO3.
What is the InChIKey of 9-pyridin-4-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The InChIKey is YORUPJAHNOZGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-16-8-11(10-1-3-17-4-2-10)12-7-14-15(9-13(12)18-16)21-6-5-20-14/h1-4,7,9,11H,5-6,8H2,(H,18,19).
What are the key properties of 9-pyridin-4-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
9-pyridin-4-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one has a molecular weight of 282.30 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pyridin-4-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is sourced from PubChem (CID 2983583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).