9-(2-propan-2-yloxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

C20H21NO4 — CID 2955678

IUPAC9-(2-propan-2-yloxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESCC(C)Oc1ccccc1C1CC(=O)Nc2cc3c(cc21)OCCO3
InChIInChI=1S/C20H21NO4/c1-12(2)25-17-6-4-3-5-13(17)14-10-20(22)21-16-11-19-18(9-15(14)16)23-7-8-24-19/h3-6,9,11-12,14H,7-8,10H2,1-2H3,(H,21,22)
InChIKeyPERBKCBUHQDFKG-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.72
Rot. Bonds3

About 9-(2-propan-2-yloxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

9-(2-propan-2-yloxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (PubChem CID 2955678) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 9-(2-propan-2-yloxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.

Molecular Properties

Compound Name9-(2-propan-2-yloxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
PubChem CID2955678
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name9-(2-propan-2-yloxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESCC(C)Oc1ccccc1C1CC(=O)Nc2cc3c(cc21)OCCO3
InChIInChI=1S/C20H21NO4/c1-12(2)25-17-6-4-3-5-13(17)14-10-20(22)21-16-11-19-18(9-15(14)16)23-7-8-24-19/h3-6,9,11-12,14H,7-8,10H2,1-2H3,(H,21,22)
InChIKeyPERBKCBUHQDFKG-UHFFFAOYSA-N
XLogP3.72
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-(2-propan-2-yloxyphenyl)-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-(2-propan-2-yloxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The IUPAC name of 9-(2-propan-2-yloxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (CID 2955678) is 9-(2-propan-2-yloxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.
What is the SMILES notation for 9-(2-propan-2-yloxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The canonical SMILES for 9-(2-propan-2-yloxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is CC(C)Oc1ccccc1C1CC(=O)Nc2cc3c(cc21)OCCO3.
What is the InChIKey of 9-(2-propan-2-yloxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The InChIKey is PERBKCBUHQDFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-12(2)25-17-6-4-3-5-13(17)14-10-20(22)21-16-11-19-18(9-15(14)16)23-7-8-24-19/h3-6,9,11-12,14H,7-8,10H2,1-2H3,(H,21,22).
What are the key properties of 9-(2-propan-2-yloxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
9-(2-propan-2-yloxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one has a molecular weight of 339.39 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-propan-2-yloxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is sourced from PubChem (CID 2955678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).