6-bromospiro[2,4-dihydro-1H-quinoxaline-3,4'-oxane]

C12H15BrN2O — CID 115293412

IUPAC6-bromospiro[2,4-dihydro-1H-quinoxaline-3,4'-oxane]
SMILESBrc1ccc2c(c1)NC1(CCOCC1)CN2
InChIInChI=1S/C12H15BrN2O/c13-9-1-2-10-11(7-9)15-12(8-14-10)3-5-16-6-4-12/h1-2,7,14-15H,3-6,8H2
InChIKeyZIYXCHRUBMTVCC-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.84
Rot. Bonds

About 6-bromospiro[2,4-dihydro-1H-quinoxaline-3,4'-oxane]

6-bromospiro[2,4-dihydro-1H-quinoxaline-3,4'-oxane] (PubChem CID 115293412) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 6-bromospiro[2,4-dihydro-1H-quinoxaline-3,4'-oxane].

Molecular Properties

Compound Name6-bromospiro[2,4-dihydro-1H-quinoxaline-3,4'-oxane]
PubChem CID115293412
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name6-bromospiro[2,4-dihydro-1H-quinoxaline-3,4'-oxane]
SMILESBrc1ccc2c(c1)NC1(CCOCC1)CN2
InChIInChI=1S/C12H15BrN2O/c13-9-1-2-10-11(7-9)15-12(8-14-10)3-5-16-6-4-12/h1-2,7,14-15H,3-6,8H2
InChIKeyZIYXCHRUBMTVCC-UHFFFAOYSA-N
XLogP2.84
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-bromospiro[2,4-dihydro-1H-quinoxaline-3,4'-oxane] with MolForge

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Related Compounds

7-bromospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,4'-oxane]
CID 113310341
7-bromo-3,3-dimethyl-1,2,4,5-tetrahydro-1,5-benzodiazepine
CID 115429330
6-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclobutane]
CID 81166977
6-bromo-4-fluorospiro[1,2-dihydroindole-3,4'-oxane]
CID 156632845
6-bromospiro[2,4-dihydroisoquinoline-3,4'-oxane]-1-one
CID 175809702
7-fluorospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,4'-oxane]
CID 115440802
6-bromo-7-fluorospiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclopentane]
CID 116739882
6-bromospiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 115049494
5-bromo-3,3-difluoro-1,2-dihydroindole
CID 135392171
8-bromospiro[3,5-dihydro-1,5-benzoxazepine-2,4'-oxane]-4-one
CID 163323537
8-bromospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-oxane]-5-one
CID 175168023
8-bromospiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclobutane]
CID 115099424

Frequently Asked Questions

What is the IUPAC name of 6-bromospiro[2,4-dihydro-1H-quinoxaline-3,4'-oxane]?
The IUPAC name of 6-bromospiro[2,4-dihydro-1H-quinoxaline-3,4'-oxane] (CID 115293412) is 6-bromospiro[2,4-dihydro-1H-quinoxaline-3,4'-oxane].
What is the SMILES notation for 6-bromospiro[2,4-dihydro-1H-quinoxaline-3,4'-oxane]?
The canonical SMILES for 6-bromospiro[2,4-dihydro-1H-quinoxaline-3,4'-oxane] is Brc1ccc2c(c1)NC1(CCOCC1)CN2.
What is the InChIKey of 6-bromospiro[2,4-dihydro-1H-quinoxaline-3,4'-oxane]?
The InChIKey is ZIYXCHRUBMTVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c13-9-1-2-10-11(7-9)15-12(8-14-10)3-5-16-6-4-12/h1-2,7,14-15H,3-6,8H2.
What are the key properties of 6-bromospiro[2,4-dihydro-1H-quinoxaline-3,4'-oxane]?
6-bromospiro[2,4-dihydro-1H-quinoxaline-3,4'-oxane] has a molecular weight of 283.17 g/mol, XLogP of 2.84, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromospiro[2,4-dihydro-1H-quinoxaline-3,4'-oxane] is sourced from PubChem (CID 115293412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).