3-(1,4-dioxan-2-yl)-1H-quinolin-2-one

C13H13NO3 — CID 166439449

IUPAC3-(1,4-dioxan-2-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1C1COCCO1
InChIInChI=1S/C13H13NO3/c15-13-10(12-8-16-5-6-17-12)7-9-3-1-2-4-11(9)14-13/h1-4,7,12H,5-6,8H2,(H,14,15)
InChIKeyVHOIASOHLKTFST-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.62
Rot. Bonds1

About 3-(1,4-dioxan-2-yl)-1H-quinolin-2-one

3-(1,4-dioxan-2-yl)-1H-quinolin-2-one (PubChem CID 166439449) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-(1,4-dioxan-2-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(1,4-dioxan-2-yl)-1H-quinolin-2-one
PubChem CID166439449
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name3-(1,4-dioxan-2-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1C1COCCO1
InChIInChI=1S/C13H13NO3/c15-13-10(12-8-16-5-6-17-12)7-9-3-1-2-4-11(9)14-13/h1-4,7,12H,5-6,8H2,(H,14,15)
InChIKeyVHOIASOHLKTFST-UHFFFAOYSA-N
XLogP1.62
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 589276
(2-Oxo-1,2-dihydroquinolin-3-yl)methyl tetrahydrofuran-2-carboxylate
CID 665765
3-(methoxymethyl)-4-methyl-1H-quinolin-2-one
CID 162666837
Methyl 2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 277384
(2-Hydroxyquinolin-3-yl)methyl acetate
CID 940702
7-fluoro-3-(oxiran-2-yl)-1H-quinolin-2-one
CID 135063716
3-(1,4-Dioxan-2-yl)-6-fluoro-1-methylquinolin-2-one
CID 166440180
3-Ethoxymethylquinolin-2-one
CID 119091123
4-(prop-2-enoxymethyl)-1H-quinolin-2-one
CID 138967828
Ethyl 4-methyl-2-oxo-1,2-dihydro-3-quinolinecarboxylate
CID 2794456
2,6-Dihydro-2-methyl-5H-pyrano[3,2-c]quinolin-5-one
CID 46843395
2-Ethyl-2,6-dihydropyrano[3,2-c]quinolin-5-one
CID 46843396

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxan-2-yl)-1H-quinolin-2-one?
The IUPAC name of 3-(1,4-dioxan-2-yl)-1H-quinolin-2-one (CID 166439449) is 3-(1,4-dioxan-2-yl)-1H-quinolin-2-one.
What is the SMILES notation for 3-(1,4-dioxan-2-yl)-1H-quinolin-2-one?
The canonical SMILES for 3-(1,4-dioxan-2-yl)-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1C1COCCO1.
What is the InChIKey of 3-(1,4-dioxan-2-yl)-1H-quinolin-2-one?
The InChIKey is VHOIASOHLKTFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-13-10(12-8-16-5-6-17-12)7-9-3-1-2-4-11(9)14-13/h1-4,7,12H,5-6,8H2,(H,14,15).
What are the key properties of 3-(1,4-dioxan-2-yl)-1H-quinolin-2-one?
3-(1,4-dioxan-2-yl)-1H-quinolin-2-one has a molecular weight of 231.25 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxan-2-yl)-1H-quinolin-2-one is sourced from PubChem (CID 166439449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).