2-(1-aminobutan-2-yl)-6-bromo-4H-pyrido[3,2-b][1,4]oxazin-3-one

C11H14BrN3O2 — CID 116990824

IUPAC2-(1-aminobutan-2-yl)-6-bromo-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCCC(CN)C1Oc2ccc(Br)nc2NC1=O
InChIInChI=1S/C11H14BrN3O2/c1-2-6(5-13)9-11(16)15-10-7(17-9)3-4-8(12)14-10/h3-4,6,9H,2,5,13H2,1H3,(H,14,15,16)
InChIKeyCBMNAQJLKLSBQA-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.53
Rot. Bonds3

About 2-(1-aminobutan-2-yl)-6-bromo-4H-pyrido[3,2-b][1,4]oxazin-3-one

2-(1-aminobutan-2-yl)-6-bromo-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 116990824) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 2-(1-aminobutan-2-yl)-6-bromo-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name2-(1-aminobutan-2-yl)-6-bromo-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID116990824
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name2-(1-aminobutan-2-yl)-6-bromo-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCCC(CN)C1Oc2ccc(Br)nc2NC1=O
InChIInChI=1S/C11H14BrN3O2/c1-2-6(5-13)9-11(16)15-10-7(17-9)3-4-8(12)14-10/h3-4,6,9H,2,5,13H2,1H3,(H,14,15,16)
InChIKeyCBMNAQJLKLSBQA-UHFFFAOYSA-N
XLogP1.53
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminobutan-2-yl)-6-bromo-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 2-(1-aminobutan-2-yl)-6-bromo-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 116990824) is 2-(1-aminobutan-2-yl)-6-bromo-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 2-(1-aminobutan-2-yl)-6-bromo-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 2-(1-aminobutan-2-yl)-6-bromo-4H-pyrido[3,2-b][1,4]oxazin-3-one is CCC(CN)C1Oc2ccc(Br)nc2NC1=O.
What is the InChIKey of 2-(1-aminobutan-2-yl)-6-bromo-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is CBMNAQJLKLSBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-2-6(5-13)9-11(16)15-10-7(17-9)3-4-8(12)14-10/h3-4,6,9H,2,5,13H2,1H3,(H,14,15,16).
What are the key properties of 2-(1-aminobutan-2-yl)-6-bromo-4H-pyrido[3,2-b][1,4]oxazin-3-one?
2-(1-aminobutan-2-yl)-6-bromo-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 300.16 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminobutan-2-yl)-6-bromo-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 116990824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).