8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline;methyl hypobromite

C13H14BrNO3 — CID 143281190

IUPAC8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline;methyl hypobromite
SMILESCOBr.Cc1ccc2c3c(ccc2n1)OCCO3
InChIInChI=1S/C12H11NO2.CH3BrO/c1-8-2-3-9-10(13-8)4-5-11-12(9)15-7-6-14-11;1-3-2/h2-5H,6-7H2,1H3;1H3
InChIKeyQHKFDTYMAVKEKG-UHFFFAOYSA-N
MW312.16 g/mol
LogP3.26
Rot. Bonds

About 8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline;methyl hypobromite

8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline;methyl hypobromite (PubChem CID 143281190) has the molecular formula C13H14BrNO3 and a molecular weight of 312.16 g/mol. Its IUPAC name is 8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline;methyl hypobromite.

Molecular Properties

Compound Name8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline;methyl hypobromite
PubChem CID143281190
Molecular FormulaC13H14BrNO3
Molecular Weight312.16 g/mol
Exact Mass311.02
IUPAC Name8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline;methyl hypobromite
SMILESCOBr.Cc1ccc2c3c(ccc2n1)OCCO3
InChIInChI=1S/C12H11NO2.CH3BrO/c1-8-2-3-9-10(13-8)4-5-11-12(9)15-7-6-14-11;1-3-2/h2-5H,6-7H2,1H3;1H3
InChIKeyQHKFDTYMAVKEKG-UHFFFAOYSA-N
XLogP3.26
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline;methyl hypobromite?
The IUPAC name of 8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline;methyl hypobromite (CID 143281190) is 8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline;methyl hypobromite.
What is the SMILES notation for 8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline;methyl hypobromite?
The canonical SMILES for 8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline;methyl hypobromite is COBr.Cc1ccc2c3c(ccc2n1)OCCO3.
What is the InChIKey of 8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline;methyl hypobromite?
The InChIKey is QHKFDTYMAVKEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2.CH3BrO/c1-8-2-3-9-10(13-8)4-5-11-12(9)15-7-6-14-11;1-3-2/h2-5H,6-7H2,1H3;1H3.
What are the key properties of 8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline;methyl hypobromite?
8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline;methyl hypobromite has a molecular weight of 312.16 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline;methyl hypobromite is sourced from PubChem (CID 143281190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).