3-amino-8-bromo-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride

C9H11BrClN3O2 — CID 166773075

IUPAC3-amino-8-bromo-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride
SMILESCN1C(=O)C(N)COc2cc(Br)cnc21.Cl
InChIInChI=1S/C9H10BrN3O2.ClH/c1-13-8-7(2-5(10)3-12-8)15-4-6(11)9(13)14;/h2-3,6H,4,11H2,1H3;1H
InChIKeyYKTFGLGNQILHKW-UHFFFAOYSA-N
MW308.56 g/mol
LogP0.95
Rot. Bonds

About 3-amino-8-bromo-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride

3-amino-8-bromo-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride (PubChem CID 166773075) has the molecular formula C9H11BrClN3O2 and a molecular weight of 308.56 g/mol. Its IUPAC name is 3-amino-8-bromo-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride.

Molecular Properties

Compound Name3-amino-8-bromo-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride
PubChem CID166773075
Molecular FormulaC9H11BrClN3O2
Molecular Weight308.56 g/mol
Exact Mass306.97
IUPAC Name3-amino-8-bromo-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride
SMILESCN1C(=O)C(N)COc2cc(Br)cnc21.Cl
InChIInChI=1S/C9H10BrN3O2.ClH/c1-13-8-7(2-5(10)3-12-8)15-4-6(11)9(13)14;/h2-3,6H,4,11H2,1H3;1H
InChIKeyYKTFGLGNQILHKW-UHFFFAOYSA-N
XLogP0.95
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.56
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-8-bromo-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride?
The IUPAC name of 3-amino-8-bromo-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride (CID 166773075) is 3-amino-8-bromo-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride.
What is the SMILES notation for 3-amino-8-bromo-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride?
The canonical SMILES for 3-amino-8-bromo-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride is CN1C(=O)C(N)COc2cc(Br)cnc21.Cl.
What is the InChIKey of 3-amino-8-bromo-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride?
The InChIKey is YKTFGLGNQILHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O2.ClH/c1-13-8-7(2-5(10)3-12-8)15-4-6(11)9(13)14;/h2-3,6H,4,11H2,1H3;1H.
What are the key properties of 3-amino-8-bromo-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride?
3-amino-8-bromo-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride has a molecular weight of 308.56 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-8-bromo-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride is sourced from PubChem (CID 166773075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).