7-bromo-2-(morpholin-2-ylmethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one

C12H14BrN3O3 — CID 116990670

IUPAC7-bromo-2-(morpholin-2-ylmethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1Nc2ncc(Br)cc2OC1CC1CNCCO1
InChIInChI=1S/C12H14BrN3O3/c13-7-3-9-11(15-5-7)16-12(17)10(19-9)4-8-6-14-1-2-18-8/h3,5,8,10,14H,1-2,4,6H2,(H,15,16,17)
InChIKeyPBKMQQQUXSWSCN-UHFFFAOYSA-N
MW328.17 g/mol
LogP0.92
Rot. Bonds2

About 7-bromo-2-(morpholin-2-ylmethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one

7-bromo-2-(morpholin-2-ylmethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 116990670) has the molecular formula C12H14BrN3O3 and a molecular weight of 328.17 g/mol. Its IUPAC name is 7-bromo-2-(morpholin-2-ylmethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name7-bromo-2-(morpholin-2-ylmethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID116990670
Molecular FormulaC12H14BrN3O3
Molecular Weight328.17 g/mol
Exact Mass327.02
IUPAC Name7-bromo-2-(morpholin-2-ylmethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1Nc2ncc(Br)cc2OC1CC1CNCCO1
InChIInChI=1S/C12H14BrN3O3/c13-7-3-9-11(15-5-7)16-12(17)10(19-9)4-8-6-14-1-2-18-8/h3,5,8,10,14H,1-2,4,6H2,(H,15,16,17)
InChIKeyPBKMQQQUXSWSCN-UHFFFAOYSA-N
XLogP0.92
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-bromo-2-(morpholin-2-ylmethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(morpholin-2-ylmethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 7-bromo-2-(morpholin-2-ylmethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 116990670) is 7-bromo-2-(morpholin-2-ylmethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 7-bromo-2-(morpholin-2-ylmethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 7-bromo-2-(morpholin-2-ylmethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one is O=C1Nc2ncc(Br)cc2OC1CC1CNCCO1.
What is the InChIKey of 7-bromo-2-(morpholin-2-ylmethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is PBKMQQQUXSWSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O3/c13-7-3-9-11(15-5-7)16-12(17)10(19-9)4-8-6-14-1-2-18-8/h3,5,8,10,14H,1-2,4,6H2,(H,15,16,17).
What are the key properties of 7-bromo-2-(morpholin-2-ylmethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
7-bromo-2-(morpholin-2-ylmethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 328.17 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(morpholin-2-ylmethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 116990670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).