3-(1,4-dioxan-2-yl)-1,6-dimethylquinolin-2-one

C15H17NO3 — CID 166439218

IUPAC3-(1,4-dioxan-2-yl)-1,6-dimethylquinolin-2-one
SMILESCc1ccc2c(c1)cc(C1COCCO1)c(=O)n2C
InChIInChI=1S/C15H17NO3/c1-10-3-4-13-11(7-10)8-12(15(17)16(13)2)14-9-18-5-6-19-14/h3-4,7-8,14H,5-6,9H2,1-2H3
InChIKeyFUGIKNOFXKIBPL-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.93
Rot. Bonds1

About 3-(1,4-dioxan-2-yl)-1,6-dimethylquinolin-2-one

3-(1,4-dioxan-2-yl)-1,6-dimethylquinolin-2-one (PubChem CID 166439218) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(1,4-dioxan-2-yl)-1,6-dimethylquinolin-2-one.

Molecular Properties

Compound Name3-(1,4-dioxan-2-yl)-1,6-dimethylquinolin-2-one
PubChem CID166439218
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name3-(1,4-dioxan-2-yl)-1,6-dimethylquinolin-2-one
SMILESCc1ccc2c(c1)cc(C1COCCO1)c(=O)n2C
InChIInChI=1S/C15H17NO3/c1-10-3-4-13-11(7-10)8-12(15(17)16(13)2)14-9-18-5-6-19-14/h3-4,7-8,14H,5-6,9H2,1-2H3
InChIKeyFUGIKNOFXKIBPL-UHFFFAOYSA-N
XLogP1.93
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,4-Dioxan-2-yl)-6-fluoro-1-methylquinolin-2-one
CID 166440180
N-(2,4-Dimethylphenyl)-8-ethoxy-6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
CID 91904507
3-(1,4-Dioxan-2-yl)-1-methylquinolin-2-one
CID 156695648
6-methyl-3-(oxiran-2-yl)-1H-quinolin-2-one
CID 135080246
1-Methyl-3-(oxolan-2-yl)quinolin-2-one
CID 166437536
1-Methyl-3-(oxan-2-yl)quinolin-2-one
CID 166438422
7-Bromo-3-(1,4-dioxan-2-yl)-1-methylquinolin-2-one
CID 166438725
1-Methyl-3-(1-propoxypentyl)quinolin-2-one
CID 166438997
3-(1,4-Dioxan-2-yl)-6-iodo-1-methylquinolin-2-one
CID 166439223
3-(1,4-Dioxan-2-yl)-1-prop-2-enylquinolin-2-one
CID 166439224
1-Butyl-3-(1,4-dioxan-2-yl)quinolin-2-one
CID 166439225
Ethyl 2-[3-(1,4-dioxan-2-yl)-2-oxoquinolin-1-yl]acetate
CID 166439226

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxan-2-yl)-1,6-dimethylquinolin-2-one?
The IUPAC name of 3-(1,4-dioxan-2-yl)-1,6-dimethylquinolin-2-one (CID 166439218) is 3-(1,4-dioxan-2-yl)-1,6-dimethylquinolin-2-one.
What is the SMILES notation for 3-(1,4-dioxan-2-yl)-1,6-dimethylquinolin-2-one?
The canonical SMILES for 3-(1,4-dioxan-2-yl)-1,6-dimethylquinolin-2-one is Cc1ccc2c(c1)cc(C1COCCO1)c(=O)n2C.
What is the InChIKey of 3-(1,4-dioxan-2-yl)-1,6-dimethylquinolin-2-one?
The InChIKey is FUGIKNOFXKIBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10-3-4-13-11(7-10)8-12(15(17)16(13)2)14-9-18-5-6-19-14/h3-4,7-8,14H,5-6,9H2,1-2H3.
What are the key properties of 3-(1,4-dioxan-2-yl)-1,6-dimethylquinolin-2-one?
3-(1,4-dioxan-2-yl)-1,6-dimethylquinolin-2-one has a molecular weight of 259.31 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxan-2-yl)-1,6-dimethylquinolin-2-one is sourced from PubChem (CID 166439218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).