3-(1,4-dioxan-2-yl)-1-methylquinolin-2-one

C14H15NO3 — CID 156695648

IUPAC3-(1,4-dioxan-2-yl)-1-methylquinolin-2-one
SMILESCn1c(=O)c(C2COCCO2)cc2ccccc21
InChIInChI=1S/C14H15NO3/c1-15-12-5-3-2-4-10(12)8-11(14(15)16)13-9-17-6-7-18-13/h2-5,8,13H,6-7,9H2,1H3
InChIKeyYLYJWSUJHOKREK-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.63
Rot. Bonds1

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

3-(1,4-dioxan-2-yl)-1-methylquinolin-2-one (PubChem CID 156695648) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(1,4-dioxan-2-yl)-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-(1,4-dioxan-2-yl)-1-methylquinolin-2-one
PubChem CID156695648
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name3-(1,4-dioxan-2-yl)-1-methylquinolin-2-one
SMILESCn1c(=O)c(C2COCCO2)cc2ccccc21
InChIInChI=1S/C14H15NO3/c1-15-12-5-3-2-4-10(12)8-11(14(15)16)13-9-17-6-7-18-13/h2-5,8,13H,6-7,9H2,1H3
InChIKeyYLYJWSUJHOKREK-UHFFFAOYSA-N
XLogP1.63
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(1,4-dioxan-2-yl)-1-methylquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-(4-oxo-4-piperidin-1-ylbutoxy)quinolin-2(1H)-one
CID 3242172
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
Methyl 1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 15054785
3-(oxiran-2-yl)-1H-quinolin-2-one
CID 87791873
6-Fluoro-3-(methoxymethyl)-1-methylquinolin-2-one
CID 142044531
butyl (E)-3-(1-methyl-2-oxoquinolin-3-yl)prop-2-enoate
CID 135057965
7-methyl-3-(oxiran-2-yl)-1H-quinolin-2-one
CID 135063715
3-(3-propan-2-yloxiran-2-yl)-1H-quinolin-2-one
CID 135063873
Tert-butyl 2-(1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)acrylate
CID 164510981
1-Methyl-3-(oxolan-2-yl)quinolin-2-one
CID 166437536
1-Methyl-3-(oxan-2-yl)quinolin-2-one
CID 166438422

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxan-2-yl)-1-methylquinolin-2-one?
The IUPAC name of 3-(1,4-dioxan-2-yl)-1-methylquinolin-2-one (CID 156695648) is 3-(1,4-dioxan-2-yl)-1-methylquinolin-2-one.
What is the SMILES notation for 3-(1,4-dioxan-2-yl)-1-methylquinolin-2-one?
The canonical SMILES for 3-(1,4-dioxan-2-yl)-1-methylquinolin-2-one is Cn1c(=O)c(C2COCCO2)cc2ccccc21.
What is the InChIKey of 3-(1,4-dioxan-2-yl)-1-methylquinolin-2-one?
The InChIKey is YLYJWSUJHOKREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-15-12-5-3-2-4-10(12)8-11(14(15)16)13-9-17-6-7-18-13/h2-5,8,13H,6-7,9H2,1H3.
What are the key properties of 3-(1,4-dioxan-2-yl)-1-methylquinolin-2-one?
3-(1,4-dioxan-2-yl)-1-methylquinolin-2-one has a molecular weight of 245.28 g/mol, XLogP of 1.63, 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-methylquinolin-2-one is sourced from PubChem (CID 156695648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).