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

C19H19NO5 — CID 3162323

IUPAC9-(3-ethoxy-4-hydroxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESCCOc1cc(C2CC(=O)Nc3cc4c(cc32)OCCO4)ccc1O
InChIInChI=1S/C19H19NO5/c1-2-23-16-7-11(3-4-15(16)21)12-9-19(22)20-14-10-18-17(8-13(12)14)24-5-6-25-18/h3-4,7-8,10,12,21H,2,5-6,9H2,1H3,(H,20,22)
InChIKeyMYJYKVZBANBWGW-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.04
Rot. Bonds3

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

9-(3-ethoxy-4-hydroxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (PubChem CID 3162323) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 9-(3-ethoxy-4-hydroxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.

Molecular Properties

Compound Name9-(3-ethoxy-4-hydroxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
PubChem CID3162323
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name9-(3-ethoxy-4-hydroxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESCCOc1cc(C2CC(=O)Nc3cc4c(cc32)OCCO4)ccc1O
InChIInChI=1S/C19H19NO5/c1-2-23-16-7-11(3-4-15(16)21)12-9-19(22)20-14-10-18-17(8-13(12)14)24-5-6-25-18/h3-4,7-8,10,12,21H,2,5-6,9H2,1H3,(H,20,22)
InChIKeyMYJYKVZBANBWGW-UHFFFAOYSA-N
XLogP3.04
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 9-(3-ethoxy-4-hydroxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(3-ethoxy-4-hydroxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The IUPAC name of 9-(3-ethoxy-4-hydroxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (CID 3162323) is 9-(3-ethoxy-4-hydroxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.
What is the SMILES notation for 9-(3-ethoxy-4-hydroxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The canonical SMILES for 9-(3-ethoxy-4-hydroxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is CCOc1cc(C2CC(=O)Nc3cc4c(cc32)OCCO4)ccc1O.
What is the InChIKey of 9-(3-ethoxy-4-hydroxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The InChIKey is MYJYKVZBANBWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-2-23-16-7-11(3-4-15(16)21)12-9-19(22)20-14-10-18-17(8-13(12)14)24-5-6-25-18/h3-4,7-8,10,12,21H,2,5-6,9H2,1H3,(H,20,22).
What are the key properties of 9-(3-ethoxy-4-hydroxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
9-(3-ethoxy-4-hydroxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one has a molecular weight of 341.36 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-ethoxy-4-hydroxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is sourced from PubChem (CID 3162323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).