2,6-dibromo-4-[2-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethyl]phenol

C15H14Br2N2O2 — CID 152631004

IUPAC2,6-dibromo-4-[2-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethyl]phenol
SMILESOc1c(Br)cc(CCN2CCOc3ccncc32)cc1Br
InChIInChI=1S/C15H14Br2N2O2/c16-11-7-10(8-12(17)15(11)20)2-4-19-5-6-21-14-1-3-18-9-13(14)19/h1,3,7-9,20H,2,4-6H2
InChIKeyZDNIJXJDKUDATC-UHFFFAOYSA-N
MW414.10 g/mol
LogP3.75
Rot. Bonds3

About 2,6-dibromo-4-[2-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethyl]phenol

2,6-dibromo-4-[2-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethyl]phenol (PubChem CID 152631004) has the molecular formula C15H14Br2N2O2 and a molecular weight of 414.10 g/mol. Its IUPAC name is 2,6-dibromo-4-[2-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[2-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethyl]phenol
PubChem CID152631004
Molecular FormulaC15H14Br2N2O2
Molecular Weight414.10 g/mol
Exact Mass411.94
IUPAC Name2,6-dibromo-4-[2-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethyl]phenol
SMILESOc1c(Br)cc(CCN2CCOc3ccncc32)cc1Br
InChIInChI=1S/C15H14Br2N2O2/c16-11-7-10(8-12(17)15(11)20)2-4-19-5-6-21-14-1-3-18-9-13(14)19/h1,3,7-9,20H,2,4-6H2
InChIKeyZDNIJXJDKUDATC-UHFFFAOYSA-N
XLogP3.75
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.10
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dibromo-4-hydroxyphenyl)-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)methanone;sulfuric acid
CID 44608872
2-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 118225627
[4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]methanol
CID 82058003
2-(3-chlorophenyl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone
CID 166227093
2-adamantyl(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)methanone
CID 167926677
2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone
CID 66936639
4-[2-(2,6-difluorophenyl)ethylsulfonyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine
CID 131962927
4-(3-bromopropyl)-6-methyl-2,3-dihydro-1,4-benzoxazine
CID 118225629
2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 110754905
N-methyl-N-prop-2-ynyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide
CID 167779163
2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone
CID 44610282
1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 123498204

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[2-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethyl]phenol?
The IUPAC name of 2,6-dibromo-4-[2-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethyl]phenol (CID 152631004) is 2,6-dibromo-4-[2-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[2-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[2-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethyl]phenol is Oc1c(Br)cc(CCN2CCOc3ccncc32)cc1Br.
What is the InChIKey of 2,6-dibromo-4-[2-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethyl]phenol?
The InChIKey is ZDNIJXJDKUDATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O2/c16-11-7-10(8-12(17)15(11)20)2-4-19-5-6-21-14-1-3-18-9-13(14)19/h1,3,7-9,20H,2,4-6H2.
What are the key properties of 2,6-dibromo-4-[2-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethyl]phenol?
2,6-dibromo-4-[2-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethyl]phenol has a molecular weight of 414.10 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[2-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethyl]phenol is sourced from PubChem (CID 152631004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).