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

C16H14N2O3 — CID 3162414

IUPAC9-pyridin-3-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESO=C1CC(c2cccnc2)c2cc3c(cc2N1)OCCO3
InChIInChI=1S/C16H14N2O3/c19-16-7-11(10-2-1-3-17-9-10)12-6-14-15(8-13(12)18-16)21-5-4-20-14/h1-3,6,8-9,11H,4-5,7H2,(H,18,19)
InChIKeyMXPKZZKGGUWLSY-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.33
Rot. Bonds1

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

9-pyridin-3-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (PubChem CID 3162414) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 9-pyridin-3-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.

Molecular Properties

Compound Name9-pyridin-3-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
PubChem CID3162414
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name9-pyridin-3-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESO=C1CC(c2cccnc2)c2cc3c(cc2N1)OCCO3
InChIInChI=1S/C16H14N2O3/c19-16-7-11(10-2-1-3-17-9-10)12-6-14-15(8-13(12)18-16)21-5-4-20-14/h1-3,6,8-9,11H,4-5,7H2,(H,18,19)
InChIKeyMXPKZZKGGUWLSY-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-pyridin-3-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The IUPAC name of 9-pyridin-3-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (CID 3162414) is 9-pyridin-3-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.
What is the SMILES notation for 9-pyridin-3-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The canonical SMILES for 9-pyridin-3-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is O=C1CC(c2cccnc2)c2cc3c(cc2N1)OCCO3.
What is the InChIKey of 9-pyridin-3-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The InChIKey is MXPKZZKGGUWLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-16-7-11(10-2-1-3-17-9-10)12-6-14-15(8-13(12)18-16)21-5-4-20-14/h1-3,6,8-9,11H,4-5,7H2,(H,18,19).
What are the key properties of 9-pyridin-3-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
9-pyridin-3-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-3-yl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is sourced from PubChem (CID 3162414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).