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

C19H19NO4 — CID 3158472

IUPAC9-(3-ethoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESCCOc1cccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)c1
InChIInChI=1S/C19H19NO4/c1-2-22-13-5-3-4-12(8-13)14-10-19(21)20-16-11-18-17(9-15(14)16)23-6-7-24-18/h3-5,8-9,11,14H,2,6-7,10H2,1H3,(H,20,21)
InChIKeyITVXEPFDTHOZAN-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.33
Rot. Bonds3

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

9-(3-ethoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (PubChem CID 3158472) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 9-(3-ethoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.

Molecular Properties

Compound Name9-(3-ethoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
PubChem CID3158472
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name9-(3-ethoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESCCOc1cccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)c1
InChIInChI=1S/C19H19NO4/c1-2-22-13-5-3-4-12(8-13)14-10-19(21)20-16-11-18-17(9-15(14)16)23-6-7-24-18/h3-5,8-9,11,14H,2,6-7,10H2,1H3,(H,20,21)
InChIKeyITVXEPFDTHOZAN-UHFFFAOYSA-N
XLogP3.33
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(3-ethoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The IUPAC name of 9-(3-ethoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (CID 3158472) is 9-(3-ethoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.
What is the SMILES notation for 9-(3-ethoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The canonical SMILES for 9-(3-ethoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is CCOc1cccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)c1.
What is the InChIKey of 9-(3-ethoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The InChIKey is ITVXEPFDTHOZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-2-22-13-5-3-4-12(8-13)14-10-19(21)20-16-11-18-17(9-15(14)16)23-6-7-24-18/h3-5,8-9,11,14H,2,6-7,10H2,1H3,(H,20,21).
What are the key properties of 9-(3-ethoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
9-(3-ethoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one has a molecular weight of 325.36 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-ethoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is sourced from PubChem (CID 3158472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).