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

C20H21NO4 — CID 2980758

IUPAC9-(2-propoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESCCCOc1ccccc1C1CC(=O)Nc2cc3c(cc21)OCCO3
InChIInChI=1S/C20H21NO4/c1-2-7-23-17-6-4-3-5-13(17)14-11-20(22)21-16-12-19-18(10-15(14)16)24-8-9-25-19/h3-6,10,12,14H,2,7-9,11H2,1H3,(H,21,22)
InChIKeyQOKJGJANOBIACH-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.72
Rot. Bonds4

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

9-(2-propoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (PubChem CID 2980758) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 9-(2-propoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.

Molecular Properties

Compound Name9-(2-propoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
PubChem CID2980758
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name9-(2-propoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESCCCOc1ccccc1C1CC(=O)Nc2cc3c(cc21)OCCO3
InChIInChI=1S/C20H21NO4/c1-2-7-23-17-6-4-3-5-13(17)14-11-20(22)21-16-12-19-18(10-15(14)16)24-8-9-25-19/h3-6,10,12,14H,2,7-9,11H2,1H3,(H,21,22)
InChIKeyQOKJGJANOBIACH-UHFFFAOYSA-N
XLogP3.72
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

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Related Compounds

CID 739217
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CID 2173748
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CID 2943604
CID 2943604
CID 656346
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CID 46829772
CID 46829772
CID 3158408
CID 3158408
CID 1252935
CID 1252935
CID 786352
CID 786352
CID 841491
CID 841491
CID 2938130
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CID 2939802
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CID 2954320
CID 2954320

Frequently Asked Questions

What is the IUPAC name of 9-(2-propoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The IUPAC name of 9-(2-propoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (CID 2980758) is 9-(2-propoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.
What is the SMILES notation for 9-(2-propoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The canonical SMILES for 9-(2-propoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is CCCOc1ccccc1C1CC(=O)Nc2cc3c(cc21)OCCO3.
What is the InChIKey of 9-(2-propoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The InChIKey is QOKJGJANOBIACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-2-7-23-17-6-4-3-5-13(17)14-11-20(22)21-16-12-19-18(10-15(14)16)24-8-9-25-19/h3-6,10,12,14H,2,7-9,11H2,1H3,(H,21,22).
What are the key properties of 9-(2-propoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
9-(2-propoxyphenyl)-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, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-propoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is sourced from PubChem (CID 2980758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).