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

C14H14BrNO3 — CID 166438725

IUPAC7-bromo-3-(1,4-dioxan-2-yl)-1-methylquinolin-2-one
SMILESCn1c(=O)c(C2COCCO2)cc2ccc(Br)cc21
InChIInChI=1S/C14H14BrNO3/c1-16-12-7-10(15)3-2-9(12)6-11(14(16)17)13-8-18-4-5-19-13/h2-3,6-7,13H,4-5,8H2,1H3
InChIKeyYUFQWTIAUOKYGV-UHFFFAOYSA-N
MW324.17 g/mol
LogP2.39
Rot. Bonds1

About 7-bromo-3-(1,4-dioxan-2-yl)-1-methylquinolin-2-one

7-bromo-3-(1,4-dioxan-2-yl)-1-methylquinolin-2-one (PubChem CID 166438725) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is 7-bromo-3-(1,4-dioxan-2-yl)-1-methylquinolin-2-one.

Molecular Properties

Compound Name7-bromo-3-(1,4-dioxan-2-yl)-1-methylquinolin-2-one
PubChem CID166438725
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name7-bromo-3-(1,4-dioxan-2-yl)-1-methylquinolin-2-one
SMILESCn1c(=O)c(C2COCCO2)cc2ccc(Br)cc21
InChIInChI=1S/C14H14BrNO3/c1-16-12-7-10(15)3-2-9(12)6-11(14(16)17)13-8-18-4-5-19-13/h2-3,6-7,13H,4-5,8H2,1H3
InChIKeyYUFQWTIAUOKYGV-UHFFFAOYSA-N
XLogP2.39
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-bromo-3-(1,4-dioxan-2-yl)-1-methylquinolin-2-one with MolForge

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Related Compounds

3-(1,4-Dioxan-2-yl)-6-fluoro-1-methylquinolin-2-one
CID 166440180
3-(1,4-Dioxan-2-yl)-1-methylquinolin-2-one
CID 156695648
3-(1,4-Dioxan-2-yl)-1,6-dimethylquinolin-2-one
CID 166439218
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
1-Benzyl-3-(1,4-dioxan-2-yl)quinolin-2-one
CID 166439227
6-Bromo-3-(1,4-dioxan-2-yl)-1-methylquinolin-2-one
CID 166440171
Methyl 7-bromo-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 154729408
Ethyl 7-bromo-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 154729710
Ethyl 5-bromo-1-methyl-2-oxoquinoline-3-carboxylate
CID 168757229
1-methyl-3-[(2S)-oxiran-2-yl]quinolin-2-one
CID 102260085

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(1,4-dioxan-2-yl)-1-methylquinolin-2-one?
The IUPAC name of 7-bromo-3-(1,4-dioxan-2-yl)-1-methylquinolin-2-one (CID 166438725) is 7-bromo-3-(1,4-dioxan-2-yl)-1-methylquinolin-2-one.
What is the SMILES notation for 7-bromo-3-(1,4-dioxan-2-yl)-1-methylquinolin-2-one?
The canonical SMILES for 7-bromo-3-(1,4-dioxan-2-yl)-1-methylquinolin-2-one is Cn1c(=O)c(C2COCCO2)cc2ccc(Br)cc21.
What is the InChIKey of 7-bromo-3-(1,4-dioxan-2-yl)-1-methylquinolin-2-one?
The InChIKey is YUFQWTIAUOKYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3/c1-16-12-7-10(15)3-2-9(12)6-11(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 7-bromo-3-(1,4-dioxan-2-yl)-1-methylquinolin-2-one?
7-bromo-3-(1,4-dioxan-2-yl)-1-methylquinolin-2-one has a molecular weight of 324.17 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(1,4-dioxan-2-yl)-1-methylquinolin-2-one is sourced from PubChem (CID 166438725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).