9-bromo-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-6-one

C12H12BrNO2 — CID 129248834

IUPAC9-bromo-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-6-one
SMILESO=C1CC2COCCN2c2cc(Br)ccc21
InChIInChI=1S/C12H12BrNO2/c13-8-1-2-10-11(5-8)14-3-4-16-7-9(14)6-12(10)15/h1-2,5,9H,3-4,6-7H2
InChIKeyRGGZIRYYBYKRGT-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.24
Rot. Bonds

About 9-bromo-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-6-one

9-bromo-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-6-one (PubChem CID 129248834) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is 9-bromo-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-6-one.

Molecular Properties

Compound Name9-bromo-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-6-one
PubChem CID129248834
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name9-bromo-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-6-one
SMILESO=C1CC2COCCN2c2cc(Br)ccc21
InChIInChI=1S/C12H12BrNO2/c13-8-1-2-10-11(5-8)14-3-4-16-7-9(14)6-12(10)15/h1-2,5,9H,3-4,6-7H2
InChIKeyRGGZIRYYBYKRGT-UHFFFAOYSA-N
XLogP2.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-6-one?
The IUPAC name of 9-bromo-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-6-one (CID 129248834) is 9-bromo-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-6-one.
What is the SMILES notation for 9-bromo-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-6-one?
The canonical SMILES for 9-bromo-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-6-one is O=C1CC2COCCN2c2cc(Br)ccc21.
What is the InChIKey of 9-bromo-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-6-one?
The InChIKey is RGGZIRYYBYKRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c13-8-1-2-10-11(5-8)14-3-4-16-7-9(14)6-12(10)15/h1-2,5,9H,3-4,6-7H2.
What are the key properties of 9-bromo-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-6-one?
9-bromo-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-6-one has a molecular weight of 282.14 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-6-one is sourced from PubChem (CID 129248834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).