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

C14H14INO3 — CID 166439223

IUPAC3-(1,4-dioxan-2-yl)-6-iodo-1-methylquinolin-2-one
SMILESCn1c(=O)c(C2COCCO2)cc2cc(I)ccc21
InChIInChI=1S/C14H14INO3/c1-16-12-3-2-10(15)6-9(12)7-11(14(16)17)13-8-18-4-5-19-13/h2-3,6-7,13H,4-5,8H2,1H3
InChIKeyGQWFMQFYTCKKRU-UHFFFAOYSA-N
MW371.17 g/mol
LogP2.23
Rot. Bonds1

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

3-(1,4-dioxan-2-yl)-6-iodo-1-methylquinolin-2-one (PubChem CID 166439223) has the molecular formula C14H14INO3 and a molecular weight of 371.17 g/mol. Its IUPAC name is 3-(1,4-dioxan-2-yl)-6-iodo-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-(1,4-dioxan-2-yl)-6-iodo-1-methylquinolin-2-one
PubChem CID166439223
Molecular FormulaC14H14INO3
Molecular Weight371.17 g/mol
Exact Mass371.00
IUPAC Name3-(1,4-dioxan-2-yl)-6-iodo-1-methylquinolin-2-one
SMILESCn1c(=O)c(C2COCCO2)cc2cc(I)ccc21
InChIInChI=1S/C14H14INO3/c1-16-12-3-2-10(15)6-9(12)7-11(14(16)17)13-8-18-4-5-19-13/h2-3,6-7,13H,4-5,8H2,1H3
InChIKeyGQWFMQFYTCKKRU-UHFFFAOYSA-N
XLogP2.23
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.17
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(1,4-Dioxan-2-yl)-6-fluoro-1-methylquinolin-2-one
CID 166440180
3-(oxiran-2-yl)-1H-quinolin-2-one
CID 87791873
3-(1,4-Dioxan-2-yl)-1-methylquinolin-2-one
CID 156695648
6-Fluoro-3-(methoxymethyl)-1-methylquinolin-2-one
CID 142044531
3-(3-propan-2-yloxiran-2-yl)-1H-quinolin-2-one
CID 135063873
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)-1,6-dimethylquinolin-2-one
CID 166439218
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

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxan-2-yl)-6-iodo-1-methylquinolin-2-one?
The IUPAC name of 3-(1,4-dioxan-2-yl)-6-iodo-1-methylquinolin-2-one (CID 166439223) is 3-(1,4-dioxan-2-yl)-6-iodo-1-methylquinolin-2-one.
What is the SMILES notation for 3-(1,4-dioxan-2-yl)-6-iodo-1-methylquinolin-2-one?
The canonical SMILES for 3-(1,4-dioxan-2-yl)-6-iodo-1-methylquinolin-2-one is Cn1c(=O)c(C2COCCO2)cc2cc(I)ccc21.
What is the InChIKey of 3-(1,4-dioxan-2-yl)-6-iodo-1-methylquinolin-2-one?
The InChIKey is GQWFMQFYTCKKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO3/c1-16-12-3-2-10(15)6-9(12)7-11(14(16)17)13-8-18-4-5-19-13/h2-3,6-7,13H,4-5,8H2,1H3.
What are the key properties of 3-(1,4-dioxan-2-yl)-6-iodo-1-methylquinolin-2-one?
3-(1,4-dioxan-2-yl)-6-iodo-1-methylquinolin-2-one has a molecular weight of 371.17 g/mol, XLogP of 2.23, 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)-6-iodo-1-methylquinolin-2-one is sourced from PubChem (CID 166439223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).