2-(1,4-dioxan-2-ylmethoxy)-7-(4-ethoxyphenyl)-1H-quinolin-4-one

C22H23NO5 — CID 166529900

IUPAC2-(1,4-dioxan-2-ylmethoxy)-7-(4-ethoxyphenyl)-1H-quinolin-4-one
SMILESCCOc1ccc(-c2ccc3c(=O)cc(OCC4COCCO4)[nH]c3c2)cc1
InChIInChI=1S/C22H23NO5/c1-2-26-17-6-3-15(4-7-17)16-5-8-19-20(11-16)23-22(12-21(19)24)28-14-18-13-25-9-10-27-18/h3-8,11-12,18H,2,9-10,13-14H2,1H3,(H,23,24)
InChIKeyWSWCTYDTSSGULY-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.39
Rot. Bonds6

About 2-(1,4-dioxan-2-ylmethoxy)-7-(4-ethoxyphenyl)-1H-quinolin-4-one

2-(1,4-dioxan-2-ylmethoxy)-7-(4-ethoxyphenyl)-1H-quinolin-4-one (PubChem CID 166529900) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-ylmethoxy)-7-(4-ethoxyphenyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(1,4-dioxan-2-ylmethoxy)-7-(4-ethoxyphenyl)-1H-quinolin-4-one
PubChem CID166529900
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name2-(1,4-dioxan-2-ylmethoxy)-7-(4-ethoxyphenyl)-1H-quinolin-4-one
SMILESCCOc1ccc(-c2ccc3c(=O)cc(OCC4COCCO4)[nH]c3c2)cc1
InChIInChI=1S/C22H23NO5/c1-2-26-17-6-3-15(4-7-17)16-5-8-19-20(11-16)23-22(12-21(19)24)28-14-18-13-25-9-10-27-18/h3-8,11-12,18H,2,9-10,13-14H2,1H3,(H,23,24)
InChIKeyWSWCTYDTSSGULY-UHFFFAOYSA-N
XLogP3.39
TPSA69.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxan-2-ylmethoxy)-7-(4-ethoxyphenyl)-1H-quinolin-4-one?
The IUPAC name of 2-(1,4-dioxan-2-ylmethoxy)-7-(4-ethoxyphenyl)-1H-quinolin-4-one (CID 166529900) is 2-(1,4-dioxan-2-ylmethoxy)-7-(4-ethoxyphenyl)-1H-quinolin-4-one.
What is the SMILES notation for 2-(1,4-dioxan-2-ylmethoxy)-7-(4-ethoxyphenyl)-1H-quinolin-4-one?
The canonical SMILES for 2-(1,4-dioxan-2-ylmethoxy)-7-(4-ethoxyphenyl)-1H-quinolin-4-one is CCOc1ccc(-c2ccc3c(=O)cc(OCC4COCCO4)[nH]c3c2)cc1.
What is the InChIKey of 2-(1,4-dioxan-2-ylmethoxy)-7-(4-ethoxyphenyl)-1H-quinolin-4-one?
The InChIKey is WSWCTYDTSSGULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-2-26-17-6-3-15(4-7-17)16-5-8-19-20(11-16)23-22(12-21(19)24)28-14-18-13-25-9-10-27-18/h3-8,11-12,18H,2,9-10,13-14H2,1H3,(H,23,24).
What are the key properties of 2-(1,4-dioxan-2-ylmethoxy)-7-(4-ethoxyphenyl)-1H-quinolin-4-one?
2-(1,4-dioxan-2-ylmethoxy)-7-(4-ethoxyphenyl)-1H-quinolin-4-one has a molecular weight of 381.43 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxan-2-ylmethoxy)-7-(4-ethoxyphenyl)-1H-quinolin-4-one is sourced from PubChem (CID 166529900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).